thiamphenicol profile

ID Source	ID
PubMed CID	27200
CHEMBL ID	1236282
CHEBI ID	32215
SCHEMBL ID	34635
MeSH ID	M0021328

Synonym
2,2-dichloro-n-{(1r,2r)-2-hydroxy-1-(hydroxymethyl)-2-[4-(methylsulfonyl)phenyl]ethyl}acetamide
(+)-thiamphenicol
CHEBI:32215 ,
d-(+)-threo-2,2-dichloro-n-(beta-hydroxy-alpha-(hydroxymethyl)-p-(methylsulfonyl)phenethyl)acetamide
thiamphenicol dl-form
win-5063
acetamide, 2,2-dichloro-n-(beta-hydroxy-alpha-(hydroxymethyl)-p-(methylsulfonyl)phenethyl)-, threo-(+-)-
racefenicol [inn]
racephenicol [usan]
(+-)-threo-2,2-dichloro-n-(beta-hydroxy-alpha-(hydroxymethyl)-p-(methylsulfonyl)phenethyl)acetamide
dl-threo-2-dichloroacetamido-1-(4-methylsulfonyl-phenyl)-1,3-propanediol
unii-283383no13
acetamide, 2,2-dichloro-n-(2-hydroxy-1-(hydroxymethyl)-2-(4-(methylsulfonyl)phenyl)ethyl)-, (r,r)-(+-)-
283383no13 ,
acetamide, 2,2-dichloro-n-((1r,2r)-2-hydroxy-1-(hydroxymethyl)-2-(4-(methylsulfonyl)phenyl)ethyl)-, rel-
racefenicolo
racefenicolum
racefenicolo [dcit]
thiamphenicol dl-
racefenicolum [inn-latin]
th8 ,
MLS002154177
BRD-K79711234-001-06-8
CHEMBL1236282
armai
8065 c.b.
DIVK1C_000842
KBIO1_000842
acetamide, 2,2-dichloro-n-(2-hydroxy-1-(hydroxymethyl)-2-(4-(methylsulfonyl)phenyl)ethyl)-, (r-(r,r))-
acetamide, 2,2-dichloro-n-(beta-hydroxy-alpha-(hydroxymethyl)-p-(methylsulfonyl)phenethyl)-, d-threo-(+)
d-thiocymetin
thiamphenicolum [inn-latin]
acetamide, 2,2-dichloro-n-((1r,2r)-2-hydroxy-1-(hydroxymethyl)-2-(4-(methylsulfonyl)phenyl)ethyl)-
win-5063-2
d-threo-(1r,2r)-1-(p-methylsulfonylphenyl)-2-dichloroacetamido-1,3-propanediol
tiamfenicol [inn-spanish]
d-d-threo-2-dichloroacetamido-1-(4-methylsulfonylphenyl)-1,3-propanediol
thiamphenicol [usan:inn:ban:jan]
d-thiophenicol
raceophenidol
einecs 239-355-3
nsc 522822
tiamfenicolo [dcit]
SPECTRUM_001428
SPECTRUM5_001617
PRESTWICK_885
SMP2_000125
IDI1_000842
NCGC00178319-01
NCGC00178319-02
thiamphenicol ,
15318-45-3
PRESTWICK3_000025
BPBIO1_000099
PRESTWICK2_000025
smr000857096
MLS001332639
MLS001332640 ,
win 5063-2
igralin
urfamycine
dexawin
thiocymetin
nsc-522822
dextrosulphenidol
thiophenicol
thiocymetin (tn)
D01407
armai (tn)
thiamphenicol (jan/usan/inn)
BSPBIO_000089
BSPBIO_003064
KBIO2_001908
KBIO2_004476
KBIO2_007044
KBIOSS_001908
KBIOGR_001026
KBIO3_002564
SPECTRUM2_000856
SPECTRUM4_000733
SPECTRUM3_001562
PRESTWICK1_000025
SPBIO_000871
PRESTWICK0_000025
SPBIO_002010
NINDS_000842
SPECTRUM1503136
HMS2092L18
DB08621
HMS502K04
HMS1922G19
HMS1568E11
2,2-dichloro-n-[(1r,2r)-1,3-dihydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide
A809401
2,2-dichloro-n-((1r,2r)-1,3-dihydroxy-1-(4-(methylsulfonyl)phenyl)propan-2-yl)acetamide
NCGC00178319-03
HMS2095E11
T2802
2,2-dichloro-n-[(1r,2r)-1,3-dihydroxy-1-[4-(methylsulfonyl)phenyl]-2-propyl]acetamide
unii-flq7571npm
tiamfenicol
tiamfenicolo
ccris 8588
flq7571npm ,
NCGC00258370-01
tox21_200816
nsc-758396
pharmakon1600-01503136
nsc758396
tox21_110577
dtxcid801338
dtxsid5021338 ,
thiamphenicolum
AKOS015951269
HMS2232E21
CCG-40309
NCGC00178319-07
thiamphenicol [mart.]
thiamphenicol [mi]
thiamphenicol [ep monograph]
thiamphenicol [jan]
thiamphenicol [inn]
2,2-dichloro-n-((1r,2r)-2-hydroxy-1-(hydroxymethyl)-2-(4-(methylsulfonyl)phenyl)ethyl)acetamide
thiamphenicol [usan]
thiamphenicol [who-dd]
S2583
HY-B0479
SCHEMBL34635
NCGC00178319-06
tox21_110577_1
acetamide, 2,2-dichloro-n-(2-hydroxy-1-(hydroxymethyl)-2-(4-(methylsulfonyl)phenyl)ethyl)-, (r,r)-(+/-)-
acetamide, 2,2-dichloro-n-(.beta.-hydroxy-.alpha.-(hydroxymethyl)-p-(methylsulfonyl)phenethyl)-, threo-(+/-)-
thiamphenicol dl-form [mi]
(+/-)-thiamphenicol
OTVAEFIXJLOWRX-NXEZZACHSA-N
2,2-bis(chloranyl)-n-[(1r,2r)-1-(4-methylsulfonylphenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide
bdbm58925
cid_27200
2,2-dichloro-n-[(1r,2r)-2-hydroxy-2-(4-mesylphenyl)-1-methylol-ethyl]acetamide
AB00052321_11
AB00052321_10
mfcd00467983
sr-05000001829
SR-05000001829-3
thiamphenicol, analytical standard
SR-05000001829-1
thiamphenicol, european pharmacopoeia (ep) reference standard
SBI-0051779.P002
HMS3712E11
2,2-dichloro-n-[(1r,2r)-1,3-dihydroxy-1-(4-methanesulfonylphenyl)propan-2-yl]acetamide
SW197006-3
Q425015
thiamphenicol (thiophenicol)
thiophenicol;dextrosulphenidol
AS-12501
BRD-K79711234-001-11-8
BCP32746
thiophenicol; dextrosulphenidol; descocin; hyrazin; masatirin; urfamycine
acetamide,2,2-dichloro-n-[(1r,2r)-2-hydroxy-1-(hydroxymethyl)-2-[4-(methylsulfonyl)phenyl]ethyl]-
gtpl12400
thiamphenicol 1000 microg/ml in acetonitrile

Excerpt	Reference
"Thiamphenicol (TAP) is an amphenicol antibiotic, which has a broad-spectrum inhibitory effect on both gram-positive and gram-negative bacteria. "	( Ai, Z; Jin, Y; Mei, M; Ren, S; Shi, Z; Xiang, W; Xie, B; Yang, K; Yi, L, 2022)
"Thiamphenicol (TAP) is a typical medicament in animal husbandry and aquaculture for treating diverse infections. "	( Kitamura, Y; Li, S; Song, C; Song, Y; Sun, J; Wei, Y, 2020)
"Thiamphenicol is a broad-spectrum antimicrobial agent active against penicillin-resistant Streptococcus pneumoniae, Staphylococcus aureus VISA strains, most methicillin-resistant isolates and atypical pathogens such as Mycoplasma pneumoniae and Chlamydia pneumoniae). "	( De Benedetto, F; Grassi, C, 2002)
"Thiamphenicol is a derivative of chloramphenicol characterized by a spectrum comparable to that of the parent compound against multiresistant pathogens but showing satisfactory tolerability. "	( Debbia, EA; Gualco, L; Marchese, A; Schito, AM; Tonoli, E, 2002)
"Thiamphenicol is an analogue of chloramphenicol and is characterised by a broad spectrum of action. "	( De Vecchi, E; Drago, L; Fassina, MC; Gismondo, MR; Mombelli, B, 2000)

Excerpt	Reference
"Thiamphenicol (1 g/kg) has no effect under the same conditions."	( Kitahama, K; Valatx, JL, 1975)

Excerpt	Reference
"Thiamphenicol-pretreated cells were bathed in anti-VIIa-L oligonucleotides and the recovery rate of COX activity compared to control oligomer-untreated cells or cells with a similar concentration of a randomized oligomer."	( Bindoff, LA; Chrzanowska-Lightowlers, ZM; Lightowlers, RN; Turnbull, DM, 1993)
"Treatment of thiamphenicol with hexamethyldisilazane or N-trimethylsilylimidazole, either alone or in the presence of trimethylchlorosilane, in acetonitrile or pyridine yields the bis(trimethylsily) (TMS) ether derivative."	( Janssen, G; Vanderhaeghe, H, 1977)

Role	Description
immunosuppressive agent	An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
antimicrobial agent	A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Class	Description
sulfone	An organosulfur compound having the structure RS(=O)2R (R =/= H).
monocarboxylic acid amide	A carboxamide derived from a monocarboxylic acid.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
TDP1 protein	Homo sapiens (human)	Potency	3.5708	0.0008	11.3822	44.6684	AID686978; AID686979
EWS/FLI fusion protein	Homo sapiens (human)	Potency	16.2784	0.0013	10.1577	42.8575	AID1259252; AID1259253; AID1259255; AID1259256
retinoid X nuclear receptor alpha	Homo sapiens (human)	Potency	23.9145	0.0008	17.5051	59.3239	AID1159527
estrogen-related nuclear receptor alpha	Homo sapiens (human)	Potency	1.5559	0.0015	30.6073	15,848.9004	AID1224849
estrogen nuclear receptor alpha	Homo sapiens (human)	Potency	62.4754	0.0002	29.3054	16,493.5996	AID743069
cytochrome P450 2D6	Homo sapiens (human)	Potency	15.4871	0.0010	8.3798	61.1304	AID1645840
chromobox protein homolog 1	Homo sapiens (human)	Potency	89.1251	0.0060	26.1688	89.1251	AID540317
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
ATP-binding cassette sub-family C member 3	Homo sapiens (human)	IC50 (µMol)	133.0000	0.6315	4.4531	9.3000	AID1473740
Multidrug resistance-associated protein 4	Homo sapiens (human)	IC50 (µMol)	133.0000	0.2000	5.6774	10.0000	AID1473741
Bile salt export pump	Homo sapiens (human)	IC50 (µMol)	133.0000	0.1100	7.1903	10.0000	AID1473738
Canalicular multispecific organic anion transporter 1	Homo sapiens (human)	IC50 (µMol)	133.0000	2.4100	6.3433	10.0000	AID1473739
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
streptokinase A precursor	Streptococcus pyogenes M1 GAS	EC50 (µMol)	2.3790	0.0600	8.9128	130.5170	AID1902; AID1914
Estrogen receptor	Rattus norvegicus (Norway rat)	EC50 (µMol)	4.0180	0.0060	22.3670	130.5170	AID1914
Estrogen receptor beta	Rattus norvegicus (Norway rat)	EC50 (µMol)	4.0180	0.0060	22.3670	130.5170	AID1914
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
xenobiotic metabolic process	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
xenobiotic transmembrane transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
bile acid and bile salt transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
glucuronoside transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
xenobiotic transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
transmembrane transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
leukotriene transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
monoatomic anion transmembrane transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
transport across blood-brain barrier	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
prostaglandin secretion	Multidrug resistance-associated protein 4	Homo sapiens (human)
cilium assembly	Multidrug resistance-associated protein 4	Homo sapiens (human)
platelet degranulation	Multidrug resistance-associated protein 4	Homo sapiens (human)
xenobiotic metabolic process	Multidrug resistance-associated protein 4	Homo sapiens (human)
xenobiotic transmembrane transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
bile acid and bile salt transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
prostaglandin transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
urate transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
glutathione transmembrane transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
transmembrane transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
cAMP transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
leukotriene transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
monoatomic anion transmembrane transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
export across plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
transport across blood-brain barrier	Multidrug resistance-associated protein 4	Homo sapiens (human)
guanine nucleotide transmembrane transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
fatty acid metabolic process	Bile salt export pump	Homo sapiens (human)
bile acid biosynthetic process	Bile salt export pump	Homo sapiens (human)
xenobiotic metabolic process	Bile salt export pump	Homo sapiens (human)
xenobiotic transmembrane transport	Bile salt export pump	Homo sapiens (human)
response to oxidative stress	Bile salt export pump	Homo sapiens (human)
bile acid metabolic process	Bile salt export pump	Homo sapiens (human)
response to organic cyclic compound	Bile salt export pump	Homo sapiens (human)
bile acid and bile salt transport	Bile salt export pump	Homo sapiens (human)
canalicular bile acid transport	Bile salt export pump	Homo sapiens (human)
protein ubiquitination	Bile salt export pump	Homo sapiens (human)
regulation of fatty acid beta-oxidation	Bile salt export pump	Homo sapiens (human)
carbohydrate transmembrane transport	Bile salt export pump	Homo sapiens (human)
bile acid signaling pathway	Bile salt export pump	Homo sapiens (human)
cholesterol homeostasis	Bile salt export pump	Homo sapiens (human)
response to estrogen	Bile salt export pump	Homo sapiens (human)
response to ethanol	Bile salt export pump	Homo sapiens (human)
xenobiotic export from cell	Bile salt export pump	Homo sapiens (human)
lipid homeostasis	Bile salt export pump	Homo sapiens (human)
phospholipid homeostasis	Bile salt export pump	Homo sapiens (human)
positive regulation of bile acid secretion	Bile salt export pump	Homo sapiens (human)
regulation of bile acid metabolic process	Bile salt export pump	Homo sapiens (human)
transmembrane transport	Bile salt export pump	Homo sapiens (human)
xenobiotic metabolic process	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
xenobiotic transmembrane transport	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
negative regulation of gene expression	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
bile acid and bile salt transport	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
bilirubin transport	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
heme catabolic process	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
xenobiotic export from cell	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
transmembrane transport	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
transepithelial transport	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
leukotriene transport	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
monoatomic anion transmembrane transport	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
transport across blood-brain barrier	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
xenobiotic transport across blood-brain barrier	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
ATP binding	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ABC-type xenobiotic transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
glucuronoside transmembrane transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ABC-type glutathione S-conjugate transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ABC-type bile acid transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ATP hydrolysis activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ATPase-coupled transmembrane transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
xenobiotic transmembrane transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ATPase-coupled inorganic anion transmembrane transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
icosanoid transmembrane transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ABC-type transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
guanine nucleotide transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
protein binding	Multidrug resistance-associated protein 4	Homo sapiens (human)
ATP binding	Multidrug resistance-associated protein 4	Homo sapiens (human)
ABC-type xenobiotic transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
prostaglandin transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
urate transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
purine nucleotide transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ABC-type glutathione S-conjugate transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ABC-type bile acid transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
efflux transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
15-hydroxyprostaglandin dehydrogenase (NAD+) activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ATP hydrolysis activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
glutathione transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ATPase-coupled transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
xenobiotic transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ATPase-coupled inorganic anion transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ABC-type transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
protein binding	Bile salt export pump	Homo sapiens (human)
ATP binding	Bile salt export pump	Homo sapiens (human)
ABC-type xenobiotic transporter activity	Bile salt export pump	Homo sapiens (human)
bile acid transmembrane transporter activity	Bile salt export pump	Homo sapiens (human)
canalicular bile acid transmembrane transporter activity	Bile salt export pump	Homo sapiens (human)
carbohydrate transmembrane transporter activity	Bile salt export pump	Homo sapiens (human)
ABC-type bile acid transporter activity	Bile salt export pump	Homo sapiens (human)
ATP hydrolysis activity	Bile salt export pump	Homo sapiens (human)
protein binding	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ATP binding	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
organic anion transmembrane transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ABC-type xenobiotic transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
bilirubin transmembrane transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ABC-type glutathione S-conjugate transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ATP hydrolysis activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ATPase-coupled transmembrane transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
xenobiotic transmembrane transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ATPase-coupled inorganic anion transmembrane transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ABC-type transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
plasma membrane	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
basal plasma membrane	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
basolateral plasma membrane	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
membrane	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
nucleolus	Multidrug resistance-associated protein 4	Homo sapiens (human)
Golgi apparatus	Multidrug resistance-associated protein 4	Homo sapiens (human)
plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
basolateral plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
apical plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
platelet dense granule membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
external side of apical plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
basolateral plasma membrane	Bile salt export pump	Homo sapiens (human)
Golgi membrane	Bile salt export pump	Homo sapiens (human)
endosome	Bile salt export pump	Homo sapiens (human)
plasma membrane	Bile salt export pump	Homo sapiens (human)
cell surface	Bile salt export pump	Homo sapiens (human)
apical plasma membrane	Bile salt export pump	Homo sapiens (human)
intercellular canaliculus	Bile salt export pump	Homo sapiens (human)
intracellular canaliculus	Bile salt export pump	Homo sapiens (human)
recycling endosome	Bile salt export pump	Homo sapiens (human)
recycling endosome membrane	Bile salt export pump	Homo sapiens (human)
extracellular exosome	Bile salt export pump	Homo sapiens (human)
membrane	Bile salt export pump	Homo sapiens (human)
plasma membrane	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
cell surface	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
apical plasma membrane	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
intercellular canaliculus	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
apical plasma membrane	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (103)

Assay ID	Title	Year	Journal	Article
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID504812	Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1347091	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347092	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1296008	Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening	2020	SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1	Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1347097	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347100	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347095	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347104	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347101	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347083	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347082	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347089	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347103	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347105	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347106	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347086	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347099	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347108	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347425	Rhodamine-PBP qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)	2019	The Journal of biological chemistry, 11-15, Volume: 294, Issue:46	Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347094	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347098	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347090	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347154	Primary screen GU AMC qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347407	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Pharmaceutical Collection	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347093	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347102	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1508630	Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay	2021	Cell reports, 04-27, Volume: 35, Issue:4	A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347107	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347424	RapidFire Mass Spectrometry qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)	2019	The Journal of biological chemistry, 11-15, Volume: 294, Issue:46	Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347096	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1346986	P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346987	P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1079938	Chronic liver disease either proven histopathologically, or through a chonic elevation of serum amino-transferase activity after 6 months. Value is number of references indexed. [column 'CHRON' in source]
AID1079943	Malignant tumor, proven histopathologically. Value is number of references indexed. [column 'T.MAL' in source]
AID588213	Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in non-rodents	2010	Chemical research in toxicology, Jan, Volume: 23, Issue:1	Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID1473741	Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 20 mins by membrane vesicle transport assay	2013	Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1	A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID1079949	Proposed mechanism(s) of liver damage. [column 'MEC' in source]
AID1079942	Steatosis, proven histopathologically. Value is number of references indexed. [column 'STEAT' in source]
AID1079941	Liver damage due to vascular disease: peliosis hepatitis, hepatic veno-occlusive disease, Budd-Chiari syndrome. Value is number of references indexed. [column 'VASC' in source]
AID1079939	Cirrhosis, proven histopathologically. Value is number of references indexed. [column 'CIRRH' in source]
AID29421	Partition coefficient (logP) (HPLC)	2000	Journal of medicinal chemistry, Jul-27, Volume: 43, Issue:15	ElogPoct: a tool for lipophilicity determination in drug discovery.
AID977599	Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	2013	Molecular pharmacology, Jun, Volume: 83, Issue:6	Structure-based identification of OATP1B1/3 inhibitors.
AID19424	Partition coefficient (logD7.4)	2001	Journal of medicinal chemistry, Jul-19, Volume: 44, Issue:15	ElogD(oct): a tool for lipophilicity determination in drug discovery. 2. Basic and neutral compounds.
AID1079935	Cytolytic liver toxicity, either proven histopathologically or where the ratio of maximal ALT or AST activity above normal to that of Alkaline Phosphatase is > 5 (see ACUTE). Value is number of references indexed. [column 'CYTOL' in source]
AID1079948	Times to onset, minimal and maximal, observed in the indexed observations. [column 'DELAI' in source]
AID69585	Tested for inhibition of puromycin reaction and reported as equilibrium constant derived from primary and secondary kinetic plots for the inhibition of peptide bond formation	1993	Journal of medicinal chemistry, Nov-12, Volume: 36, Issue:23	Aminoacyl analogs of chloramphenicol: examination of the kinetics of inhibition of peptide bond formation.
AID1473739	Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 20 mins by membrane vesicle transport assay	2013	Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1	A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID1079932	Highest frequency of moderate liver toxicity observed during clinical trials, expressed as a percentage. [column '% BIOL' in source]
AID1079947	Comments (NB not yet translated). [column 'COMMENTAIRES' in source]
AID27580	Partition coefficient (logP)	2000	Journal of medicinal chemistry, Jul-27, Volume: 43, Issue:15	ElogPoct: a tool for lipophilicity determination in drug discovery.
AID1079945	Animal toxicity known. [column 'TOXIC' in source]
AID1079936	Choleostatic liver toxicity, either proven histopathologically or where the ratio of maximal ALT or AST activity above normal to that of Alkaline Phosphatase is < 2 (see ACUTE). Value is number of references indexed. [column 'CHOLE' in source]
AID977602	Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	2013	Molecular pharmacology, Jun, Volume: 83, Issue:6	Structure-based identification of OATP1B1/3 inhibitors.
AID1473738	Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to 20 mins by membrane vesicle transport assay	2013	Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1	A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID1079934	Highest frequency of acute liver toxicity observed during clinical trials, expressed as a percentage. [column '% AIGUE' in source]
AID563230	Antimicrobial activity against apramycin-resistant cmlR2 null mutant Streptomyces coelicolor B756 after 48 hrs relative to wild type	2009	Antimicrobial agents and chemotherapy, Nov, Volume: 53, Issue:11	Two distinct major facilitator superfamily drug efflux pumps mediate chloramphenicol resistance in Streptomyces coelicolor.
AID1473740	Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 10 mins by membrane vesicle transport assay	2013	Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1	A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID1079940	Granulomatous liver disease, proven histopathologically. Value is number of references indexed. [column 'GRAN' in source]
AID588212	Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in rodents	2010	Chemical research in toxicology, Jan, Volume: 23, Issue:1	Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID588220	Literature-mined public compounds from Kruhlak et al phospholipidosis modelling dataset	2008	Toxicology mechanisms and methods, , Volume: 18, Issue:2-3	Development of a phospholipidosis database and predictive quantitative structure-activity relationship (QSAR) models.
AID1079933	Acute liver toxicity defined via clinical observations and clear clinical-chemistry results: serum ALT or AST activity > 6 N or serum alkaline phosphatases activity > 1.7 N. This category includes cytolytic, choleostatic and mixed liver toxicity. Value is
AID1079931	Moderate liver toxicity, defined via clinical-chemistry results: ALT or AST serum activity 6 times the normal upper limit (N) or alkaline phosphatase serum activity of 1.7 N. Value is number of references indexed. [column 'BIOL' in source]
AID1079946	Presence of at least one case with successful reintroduction. [column 'REINT' in source]
AID588211	Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in humans	2010	Chemical research in toxicology, Jan, Volume: 23, Issue:1	Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID19427	HPLC capacity factor (k)	2000	Journal of medicinal chemistry, Jul-27, Volume: 43, Issue:15	ElogPoct: a tool for lipophilicity determination in drug discovery.
AID1079944	Benign tumor, proven histopathologically. Value is number of references indexed. [column 'T.BEN' in source]
AID1079937	Severe hepatitis, defined as possibly life-threatening liver failure or through clinical observations. Value is number of references indexed. [column 'MASS' in source]
AID1347119	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for MG 63 (6-TG R) cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347129	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for SK-N-SH cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347118	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for TC32 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347117	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for BT-37 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347122	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for U-2 OS cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347113	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for LAN-5 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347121	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for control Hh wild type fibroblast cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347110	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for A673 cells)	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347125	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Rh18 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347116	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for SJ-GBM2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347111	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for SK-N-MC cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347124	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for RD cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347126	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Rh30 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347128	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for OHS-50 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347114	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for DAOY cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347109	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for NB1643 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347115	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for NB-EBc1 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347127	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Saos-2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347112	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for BT-12 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347123	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Rh41 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID588519	A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities	2011	Antiviral research, Sep, Volume: 91, Issue:3	High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
AID540299	A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis	2010	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21	Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.
AID1159607	Screen for inhibitors of RMI FANCM (MM2) intereaction	2016	Journal of biomolecular screening, Jul, Volume: 21, Issue:6	A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.
AID1159550	Human Phosphogluconate dehydrogenase (6PGD) Inhibitor Screening	2015	Nature cell biology, Nov, Volume: 17, Issue:11	6-Phosphogluconate dehydrogenase links oxidative PPP, lipogenesis and tumour growth by inhibiting LKB1-AMPK signalling.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	253 (26.80)	18.7374
1990's	62 (6.57)	18.2507
2000's	167 (17.69)	29.6817
2010's	318 (33.69)	24.3611
2020's	144 (15.25)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	100 (9.57%)	5.53%
Reviews	24 (2.30%)	6.00%
Case Studies	36 (3.44%)	4.05%
Observational	0 (0.00%)	0.25%
Other	885 (84.69%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Trial	Phase	Enrollment	Study Type	Start Date	Status
A Randomized, Double Blind, Placebo Controlled, Parallel Group Study to Investigate the Safety, Tolerability, Pharmacokinetics, and Pharmacodynamics of 14-Day Repeated-Dose Administration of Thiamphenicol (RUX 122) in Healthy Subjects[NCT00958503]	Phase 1	30 participants (Actual)	Interventional	2007-07-31	Completed
[information is prepared from clinicaltrials.gov, extracted Sep-2024]

Substance	Description	Relationhip Strength	Studies	Trials	Classes	Roles
chloramphenicol	[no description available]	high	225	0	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor
tevenel	[no description available]	medium	2	0	sulfonamide
naphthalene	[no description available]	medium	2	0	naphthalenes; ortho-fused bicyclic arene	apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component
acetaminophen	[no description available]	medium	6	0	acetamides; phenols	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
antipyrine	[no description available]	medium	3	0	pyrazolone	antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
bay h 4502	[no description available]	medium	4	0	biphenyls; imidazoles
bromazepam	[no description available]	medium	2	0	organic molecular entity
caffeine	[no description available]	medium	5	0	purine alkaloid; trimethylxanthine	adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic
carbamazepine	[no description available]	medium	6	0	dibenzoazepine; ureas	analgesic; anticonvulsant; antimanic drug; drug allergen; EC 3.5.1.98 (histone deacetylase) inhibitor; environmental contaminant; glutamate transporter activator; mitogen; non-narcotic analgesic; sodium channel blocker; xenobiotic
clotrimazole	[no description available]	medium	3	0	conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes	antiinfective agent; environmental contaminant; xenobiotic
diazepam	[no description available]	medium	6	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic
fluconazole	[no description available]	medium	4	0	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic
lorazepam	[no description available]	medium	3	0	benzodiazepine
metronidazole	[no description available]	high	11	0	C-nitro compound; imidazoles; primary alcohol	antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic
nifedipine	[no description available]	medium	4	0	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
pentoxifylline	[no description available]	medium	5	0	oxopurine
tolnaftate	[no description available]	medium	3	0	monothiocarbamic ester	antifungal drug
hydrocortisone acetate	[no description available]	medium	3	0	cortisol ester; tertiary alpha-hydroxy ketone
prednisolone	[no description available]	medium	4	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic
prednisone	[no description available]	high	5	0	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug
quinoline	[no description available]	medium	3	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinolines
acetophenone	[no description available]	medium	2	0	acetophenones	animal metabolite; photosensitizing agent; xenobiotic
3-chlorophenol	[no description available]	medium	2	0	monochlorophenol
methylthioinosine	[no description available]	medium	2	0	purine ribonucleoside; thiopurine
3,5-dichlorophenol	[no description available]	medium	3	0	dichlorophenol
lormetazepam	[no description available]	medium	2	0	1,4-benzodiazepinone; organochlorine compound	sedative
griseofulvin	[no description available]	medium	4	0	1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound	antibacterial agent; Penicillium metabolite
diethylstilbestrol	[no description available]	medium	3	0	olefinic compound; polyphenol	antifungal agent; antineoplastic agent; autophagy inducer; calcium channel blocker; carcinogenic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; endocrine disruptor; xenoestrogen
nitrofurazone	[no description available]	medium	4	0
nifuroxime	[no description available]	medium	2	0
allopurinol	[no description available]	medium	5	0	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger
acebutolol	[no description available]	medium	2	0	aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent
alprazolam	[no description available]	medium	1	0	organochlorine compound; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic
alprenolol	[no description available]	medium	2	0	secondary alcohol; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
amiodarone	[no description available]	medium	5	0	1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound	cardiovascular drug
amlodipine	[no description available]	medium	3	0	dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound	antihypertensive agent; calcium channel blocker; vasodilator agent
chlorpheniramine	[no description available]	medium	3	0	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor
chlorpromazine	[no description available]	medium	5	0	organochlorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug
chlorthalidone	[no description available]	medium	2	0	isoindoles; monochlorobenzenes; sulfonamide
cimetidine	[no description available]	medium	4	0	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
clonidine	[no description available]	medium	3	0	clonidine; imidazoline
cyclothiazide	[no description available]	medium	2	0	benzothiadiazine	antihypertensive agent; diuretic
desipramine	[no description available]	medium	3	0	dibenzoazepine; secondary amino compound	adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; cholinergic antagonist; drug allergen; EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; serotonin uptake inhibitor
diphenhydramine	[no description available]	medium	2	0	ether; tertiary amino compound	anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative
disopyramide	[no description available]	medium	4	0	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug
flecainide	[no description available]	medium	3	0	aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines	anti-arrhythmia drug
haloperidol	[no description available]	medium	4	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
lidocaine	[no description available]	medium	4	0	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
imipramine	[no description available]	medium	4	0	dibenzoazepine	adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
loratadine	[no description available]	medium	3	0	benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide	anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist
metoclopramide	[no description available]	medium	3	0	benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound	antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic
metoprolol	[no description available]	medium	5	0	aromatic ether; propanolamine; secondary alcohol; secondary amino compound	antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic
mexiletine	[no description available]	medium	2	0	aromatic ether; primary amino compound	anti-arrhythmia drug
nizatidine	[no description available]	medium	2	0	1,3-thiazoles; C-nitro compound; carboxamidine; organic sulfide; tertiary amino compound	anti-ulcer drug; cholinergic drug; H2-receptor antagonist
omeprazole	[no description available]	medium	4	0	aromatic ether; benzimidazoles; pyridines; sulfoxide
pirenzepine	[no description available]	medium	1	0	pyridobenzodiazepine	anti-ulcer drug; antispasmodic drug; muscarinic antagonist
procainamide	[no description available]	medium	5	0	benzamides	anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker
propafenone	[no description available]	medium	2	0	aromatic ketone; secondary alcohol; secondary amino compound	anti-arrhythmia drug
propranolol	[no description available]	medium	4	0	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
ranitidine	[no description available]	medium	3	0	aralkylamine
risperidone	[no description available]	medium	3	0	1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine	alpha-adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; psychotropic drug; second generation antipsychotic; serotonergic antagonist
sotalol	[no description available]	medium	4	0	ethanolamines; secondary alcohol; secondary amino compound; sulfonamide	anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic
sumatriptan	[no description available]	medium	3	0	sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
tetracaine	[no description available]	medium	2	0	benzoate ester; tertiary amino compound	local anaesthetic
thioridazine	[no description available]	medium	3	0	phenothiazines; piperidines	alpha-adrenergic antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
tiapride	[no description available]	medium	2	0	benzamides
trazodone	[no description available]	medium	3	0	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine	adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor
triamterene	[no description available]	medium	2	0	pteridines	diuretic; sodium channel blocker
trichlormethiazide	[no description available]	medium	2	0	benzothiadiazine; sulfonamide antibiotic	antihypertensive agent; diuretic
triflupromazine	[no description available]	medium	2	0	organofluorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic
trimethoprim	[no description available]	medium	13	0	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic
trimethoprim	[no description available]	medium	13	3	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic
fentanyl citrate	[no description available]	medium	1	0	citrate salt	mu-opioid receptor agonist; opioid analgesic
selegiline	[no description available]	medium	3	0	selegiline; terminal acetylenic compound	geroprotector
diltiazem	[no description available]	medium	3	0	5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate	antihypertensive agent; calcium channel blocker; vasodilator agent
tiotidine	[no description available]	medium	1	0	thiazoles
zaltidine	[no description available]	medium	1	0
methotrimeprazine	[no description available]	medium	1	0	phenothiazines; tertiary amine	anticoronaviral agent; cholinergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; non-narcotic analgesic; phenothiazine antipsychotic drug; serotonergic antagonist
nicotine	[no description available]	medium	3	0	3-(1-methylpyrrolidin-2-yl)pyridine	anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic
atropine	[no description available]	medium	5	0
quinidine	[no description available]	medium	4	0	cinchona alkaloid	alpha-adrenergic antagonist; anti-arrhythmia drug; antimalarial; drug allergen; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; muscarinic antagonist; P450 inhibitor; potassium channel blocker; sodium channel blocker
cocaine	[no description available]	medium	2	0	benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid	adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic
codeine	[no description available]	medium	2	0	morphinane alkaloid; organic heteropentacyclic compound	antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic
morphine sulfate	[no description available]	medium	1	0	alkaloid sulfate salt
clozapine	[no description available]	medium	4	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine; organochlorine compound	adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; GABA antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; xenobiotic
reserpine	[no description available]	medium	3	0	alkaloid ester; methyl ester; yohimban alkaloid	adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic
florfenicol	[no description available]	high	566	0	organochlorine compound; organofluorine compound; secondary alcohol; secondary carboxamide; sulfone	antimicrobial agent
florfenicol	[no description available]	high	566	68	organochlorine compound; organofluorine compound; secondary alcohol; secondary carboxamide; sulfone	antimicrobial agent
phenylalanine arginine beta-naphthylamide	[no description available]	medium	3	0	peptide
acetic acid	[no description available]	medium	1	0	monocarboxylic acid	antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent
acetamide	[no description available]	medium	1	0	acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia
adenine	[no description available]	medium	2	0	6-aminopurines; purine nucleobase	Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
allantoin	[no description available]	medium	1	0	imidazolidine-2,4-dione; ureas	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite; vulnerary
quinacrine	[no description available]	medium	2	0	acridines; aromatic ether; organochlorine compound; tertiary amino compound	antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
betaine	[no description available]	medium	3	0	amino-acid betaine; glycine derivative	fundamental metabolite
carnitine	[no description available]	medium	1	0	amino-acid betaine	human metabolite; mouse metabolite
citric acid, anhydrous	[no description available]	medium	1	0	tricarboxylic acid	antimicrobial agent; chelator; food acidity regulator; fundamental metabolite
salicylic acid	[no description available]	medium	2	0	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite
bupropion	[no description available]	medium	1	0	aromatic ketone; monochlorobenzenes; secondary amino compound	antidepressant; environmental contaminant; xenobiotic
aminocaproic acid	[no description available]	medium	1	0	amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid	antifibrinolytic drug; hematologic agent; metabolite
creatine	[no description available]	medium	1	0	glycine derivative; guanidines; zwitterion	geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical
lactic acid	[no description available]	medium	2	0	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
dimethyl sulfoxide	[no description available]	medium	1	0	sulfoxide; volatile organic compound	alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger
formaldehyde	[no description available]	medium	1	0	aldehyde; one-carbon compound	allergen; carcinogenic agent; disinfectant; EC 3.5.1.4 (amidase) inhibitor; environmental contaminant; Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
glycine	[no description available]	medium	3	0	alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid	EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical
glycerol	[no description available]	medium	2	0	alditol; triol	algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent
hydroquinone	[no description available]	medium	1	0	benzenediol; hydroquinones	antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent
inositol	[no description available]	medium	3	0	cyclitol; hexol
niacinamide	[no description available]	medium	1	0	pyridine alkaloid; pyridinecarboxamide; vitamin B3	anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor
niacin	[no description available]	medium	2	0	pyridine alkaloid; pyridinemonocarboxylic acid; vitamin B3	antidote; antilipemic drug; EC 3.5.1.19 (nicotinamidase) inhibitor; Escherichia coli metabolite; human urinary metabolite; metabolite; mouse metabolite; plant metabolite; vasodilator agent
orotic acid	[no description available]	medium	1	0	pyrimidinemonocarboxylic acid	Escherichia coli metabolite; metabolite; mouse metabolite
4-aminobenzoic acid	[no description available]	medium	1	0	aminobenzoic acid; aromatic amino-acid zwitterion	allergen; Escherichia coli metabolite; plant metabolite
phenol	[no description available]	medium	1	0	phenols	antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite
phenylacetic acid	[no description available]	medium	1	0	benzenes; monocarboxylic acid; phenylacetic acids	allergen; Aspergillus metabolite; auxin; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; Escherichia coli metabolite; human metabolite; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite; toxin
pyrazinamide	[no description available]	medium	2	0	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug
pyridoxal phosphate	[no description available]	medium	1	0	methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6 phosphate	coenzyme; cofactor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
pyridoxine	[no description available]	medium	2	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
thiamine	[no description available]	medium	1	0	primary alcohol; vitamin B1	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
uracil	[no description available]	medium	1	0	pyrimidine nucleobase; pyrimidone	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite
urea	[no description available]	high	4	0	isourea; monocarboxylic acid amide; one-carbon compound	Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
catechin	[no description available]	medium	1	0	hydroxyflavan
menthol	[no description available]	medium	1	0	p-menthane monoterpenoid; secondary alcohol	volatile oil component
phenytoin	[no description available]	medium	6	0	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
acetazolamide	[no description available]	medium	2	0	monocarboxylic acid amide; sulfonamide; thiadiazoles	anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
acetohexamide	[no description available]	medium	1	0	acetophenones; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
acetohydroxamic acid	[no description available]	medium	1	0	acetohydroxamic acids; carbohydroximic acid	algal metabolite; EC 3.5.1.5 (urease) inhibitor
albendazole	[no description available]	medium	5	0	aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	anthelminthic drug; microtubule-destabilising agent; tubulin modulator
albuterol	[no description available]	medium	2	0	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic
alfuzosin	[no description available]	medium	1	0	monocarboxylic acid amide; quinazolines; tetrahydrofuranol	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent
amantadine	[no description available]	medium	3	0	adamantanes; primary aliphatic amine	analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic
ambroxol	[no description available]	medium	2	0	aromatic amine
aminoglutethimide	[no description available]	medium	3	0	dicarboximide; piperidones; substituted aniline	adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
pimagedine	[no description available]	medium	1	0	guanidines; one-carbon compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 1.4.3.4 (monoamine oxidase) inhibitor
theophylline	[no description available]	medium	2	0	dimethylxanthine	adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent
amitriptyline	[no description available]	medium	3	0	carbotricyclic compound; tertiary amine	adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic
amobarbital	[no description available]	medium	1	0	barbiturates
amsacrine	[no description available]	medium	2	0	acridines; aromatic ether; sulfonamide	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
anastrozole	[no description available]	medium	2	0	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
anethole trithione	[no description available]	medium	1	0	methoxybenzenes
anthralin	[no description available]	medium	2	0	anthracenes	antipsoriatic
aspirin	[no description available]	medium	3	0	benzoic acids; phenyl acetates; salicylates	anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent
atenolol	[no description available]	medium	2	0	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic
azathioprine	[no description available]	medium	2	0	aryl sulfide; C-nitro compound; imidazoles; thiopurine	antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug
baclofen	[no description available]	medium	2	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound	central nervous system depressant; GABA agonist; muscle relaxant
barbital	[no description available]	medium	2	0	barbiturates	drug allergen
bendazac	[no description available]	medium	1	0	indazoles; monocarboxylic acid	non-steroidal anti-inflammatory drug; radical scavenger
benzbromarone	[no description available]	medium	2	0	1-benzofurans; aromatic ketone	uricosuric drug
bicalutamide	[no description available]	medium	2	0	(trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol
bisoprolol	[no description available]	medium	1	0	secondary alcohol; secondary amine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
bromisovalum	[no description available]	medium	1	0	N-acylurea; organobromine compound
brotizolam	[no description available]	medium	1	0	organic molecular entity
bumetanide	[no description available]	medium	2	0	amino acid; benzoic acids; sulfonamide	diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
bupivacaine	[no description available]	medium	1	0	aromatic amide; piperidinecarboxamide; tertiary amino compound
buspirone	[no description available]	medium	2	0	azaspiro compound; N-alkylpiperazine; N-arylpiperazine; organic heteropolycyclic compound; piperidones; pyrimidines	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
busulfan	[no description available]	medium	2	0	methanesulfonate ester	alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent
butalbital	[no description available]	medium	2	0	barbiturates	analgesic; sedative
verapamil	[no description available]	medium	3	0	aromatic ether; nitrile; polyether; tertiary amino compound
verapamil	[no description available]	medium	3	1	aromatic ether; nitrile; polyether; tertiary amino compound
candesartan cilexetil	[no description available]	medium	1	0	biphenyls
carisoprodol	[no description available]	medium	1	0	carbamate ester	muscle relaxant
carmustine	[no description available]	medium	3	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
carprofen	[no description available]	medium	2	0	carbazoles; organochlorine compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug; photosensitizing agent
carvedilol	[no description available]	medium	2	0	carbazoles; secondary alcohol; secondary amino compound	alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent
celecoxib	[no description available]	medium	2	0	organofluorine compound; pyrazoles; sulfonamide; toluenes	cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug
cetirizine	[no description available]	medium	1	0	ether; monocarboxylic acid; monochlorobenzenes; piperazines	anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic
chloral hydrate	[no description available]	medium	1	0	aldehyde hydrate; ethanediol; organochlorine compound	general anaesthetic; mouse metabolite; sedative; xenobiotic
chlorambucil	[no description available]	medium	2	0	aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
chlordiazepoxide	[no description available]	medium	2	0	benzodiazepine
chlormezanone	[no description available]	medium	1	0	1,3-thiazine; lactam; monochlorobenzenes; sulfone	antipsychotic agent; anxiolytic drug; muscle relaxant
chloroquine	[no description available]	medium	3	0	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
chloroxylenol	[no description available]	medium	1	0	monochlorobenzenes; phenols	antiseptic drug; disinfectant; molluscicide
chlorpropamide	[no description available]	medium	3	0	monochlorobenzenes; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
chlorzoxazone	[no description available]	medium	2	0	1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound	muscle relaxant; sedative
cinoxacin	[no description available]	medium	1	0	cinnolines; oxacycle; oxo carboxylic acid	antibacterial drug; antiinfective agent
ciprofibrate	[no description available]	medium	3	0	cyclopropanes; monocarboxylic acid; organochlorine compound	antilipemic drug
ciprofloxacin	[no description available]	high	11	0	aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone; zwitterion	antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic
cisapride	[no description available]	medium	1	0	benzamides
citalopram	[no description available]	medium	3	0	2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound
clioquinol	[no description available]	high	4	0	monohydroxyquinoline; organochlorine compound; organoiodine compound	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; antiprotozoal drug; chelator; copper chelator
clobazam	[no description available]	medium	2	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; GABA modulator
clofazimine	[no description available]	medium	3	0	monochlorobenzenes; phenazines	dye; leprostatic drug; non-steroidal anti-inflammatory drug
clofibrate	[no description available]	medium	2	0	aromatic ether; ethyl ester; monochlorobenzenes	anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist
clomiphene	[no description available]	medium	2	0	tertiary amine	estrogen antagonist; estrogen receptor modulator
clotiazepam	[no description available]	medium	1	0	organic molecular entity
cyclandelate	[no description available]	medium	2	0	carboxylic ester; secondary alcohol	vasodilator agent
cyproheptadine	[no description available]	medium	1	0	piperidines; tertiary amine	anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist
danthron	[no description available]	medium	1	0	dihydroxyanthraquinone	apoptosis inducer; plant metabolite
dapsone	[no description available]	high	3	0	substituted aniline; sulfone	anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug
deferoxamine	[no description available]	medium	1	0	acyclic desferrioxamine	bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore
amphetamine	[no description available]	medium	2	0	primary amine
eflornithine	[no description available]	medium	1	0	alpha-amino acid; fluoroamino acid	trypanocidal drug
diazoxide	[no description available]	medium	2	0	benzothiadiazine; organochlorine compound; sulfone	antihypertensive agent; beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; diuretic; K-ATP channel agonist; sodium channel blocker; sympathomimetic agent; vasodilator agent
diclofenac	[no description available]	medium	2	0	amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
ddt	[no description available]	medium	2	0	benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide	bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant
diflunisal	[no description available]	medium	1	0	monohydroxybenzoic acid; organofluorine compound	non-narcotic analgesic; non-steroidal anti-inflammatory drug
dipyridamole	[no description available]	medium	2	0	piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol	adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent
disulfiram	[no description available]	medium	3	0	organic disulfide; organosulfur acaricide	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor
valproic acid	[no description available]	medium	2	0	branched-chain fatty acid; branched-chain saturated fatty acid	anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent
doxepin	[no description available]	medium	2	0	dibenzooxepine; tertiary amino compound	antidepressant
droperidol	[no description available]	medium	1	0	aromatic ketone; benzimidazoles; organofluorine compound	anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic
econazole	[no description available]	medium	1	0	dichlorobenzene; ether; imidazoles; monochlorobenzenes
enflurane	[no description available]	medium	1	0	ether; organochlorine compound; organofluorine compound	anaesthetic
enoxacin	[no description available]	medium	3	0	1,8-naphthyridine derivative; amino acid; fluoroquinolone antibiotic; monocarboxylic acid; N-arylpiperazine; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor
estazolam	[no description available]	medium	1	0	triazoles; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA modulator
ethacrynic acid	[no description available]	medium	2	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid	EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic
ethoxzolamide	[no description available]	medium	1	0	aromatic ether; benzothiazoles; sulfonamide	antiglaucoma drug; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
etodolac	[no description available]	medium	1	0	monocarboxylic acid; organic heterotricyclic compound	antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
brl 42810	[no description available]	medium	3	0	2-aminopurines; acetate ester	antiviral drug; prodrug
felbamate	[no description available]	medium	1	0	carbamate ester	anticonvulsant; neuroprotective agent
felodipine	[no description available]	medium	2	0	dichlorobenzene; dihydropyridine; ethyl ester; methyl ester	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
fenofibrate	[no description available]	medium	2	0	aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
fentanyl	[no description available]	medium	1	0	anilide; monocarboxylic acid amide; piperidines	adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
flucytosine	[no description available]	medium	3	0	aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone	prodrug
flufenamic acid	[no description available]	medium	2	0	aromatic amino acid; organofluorine compound	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flumazenil	[no description available]	medium	2	0	ethyl ester; imidazobenzodiazepine; organofluorine compound	antidote to benzodiazepine poisoning; GABA antagonist
flunitrazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; C-nitro compound; monofluorobenzenes	anxiolytic drug; GABAA receptor agonist; sedative
fluorouracil	[no description available]	medium	3	0	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
fluoxetine	[no description available]	medium	3	0	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound
flurbiprofen	[no description available]	medium	1	0	fluorobiphenyl; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flutamide	[no description available]	medium	2	0	(trifluoromethyl)benzenes; monocarboxylic acid amide	androgen antagonist; antineoplastic agent
fomepizole	[no description available]	medium	1	0	pyrazoles	antidote; EC 1.1.1.1 (alcohol dehydrogenase) inhibitor; protective agent
furosemide	[no description available]	medium	3	0	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
gemfibrozil	[no description available]	medium	3	0	aromatic ether	antilipemic drug
glafenine	[no description available]	medium	1	0	aminoquinoline; carboxylic ester; glycol; organochlorine compound; secondary amino compound	inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
gliclazide	[no description available]	medium	3	0	N-sulfonylurea	hypoglycemic agent; insulin secretagogue; radical scavenger
glutethimide	[no description available]	medium	1	0	piperidines
glyburide	[no description available]	medium	2	0	monochlorobenzenes; N-sulfonylurea	anti-arrhythmia drug; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor; hypoglycemic agent
gossypol	[no description available]	medium	1	0
guaiazulene	[no description available]	medium	1	0	sesquiterpene
fasudil	[no description available]	medium	1	0	isoquinolines; N-sulfonyldiazepane	antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; geroprotector; neuroprotective agent; nootropic agent; vasodilator agent
halothane	[no description available]	medium	1	0	haloalkane; organobromine compound; organochlorine compound; organofluorine compound	inhalation anaesthetic
hexachlorophene	[no description available]	medium	2	0	bridged diphenyl fungicide; polyphenol; trichlorobenzene	acaricide; antibacterial agent; antifungal agrochemical; antiseptic drug
miltefosine	[no description available]	medium	1	0	phosphocholines; phospholipid	anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor
hexestrol	[no description available]	medium	1	0	stilbenoid
hexetidine	[no description available]	medium	1	0	organic heteromonocyclic compound; organonitrogen heterocyclic compound
hexobarbital	[no description available]	medium	1	0	barbiturates
hydralazine	[no description available]	medium	2	0	azaarene; hydrazines; ortho-fused heteroarene; phthalazines	antihypertensive agent; vasodilator agent
hydrochlorothiazide	[no description available]	medium	2	0	benzothiadiazine; organochlorine compound; sulfonamide	antihypertensive agent; diuretic; environmental contaminant; xenobiotic
hydroxyurea	[no description available]	medium	3	0	one-carbon compound; ureas	antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent
hydroxyzine	[no description available]	medium	2	0	hydroxyether; monochlorobenzenes; N-alkylpiperazine	anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist
ibuprofen	[no description available]	medium	2	0	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic
phenelzine	[no description available]	medium	1	0	primary amine
alverine	[no description available]	medium	1	0	tertiary amine	antispasmodic drug
idebenone	[no description available]	medium	1	0	1,4-benzoquinones; primary alcohol	antioxidant; ferroptosis inhibitor
ifosfamide	[no description available]	medium	2	0	ifosfamides	alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic
amrinone	[no description available]	medium	3	0	bipyridines	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
indapamide	[no description available]	medium	2	0	indoles; organochlorine compound; sulfonamide	antihypertensive agent; diuretic
indomethacin	[no description available]	medium	2	0	aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole	analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic
iohexol	[no description available]	medium	2	0	benzenedicarboxamide; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic
iodipamide	[no description available]	medium	2	0	benzoic acids; organoiodine compound; secondary carboxamide	radioopaque medium
iproniazid	[no description available]	medium	2	0	carbohydrazide; pyridines
avapro	[no description available]	medium	2	0	azaspiro compound; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
isoflurane	[no description available]	medium	2	0	organofluorine compound	inhalation anaesthetic
isoniazid	[no description available]	medium	5	0	carbohydrazide	antitubercular agent; drug allergen
2-propanol	[no description available]	medium	2	0	secondary alcohol; secondary fatty alcohol	protic solvent
isoproterenol	[no description available]	medium	1	0	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
isoxsuprine	[no description available]	medium	2	0	alkylbenzene
isradipine	[no description available]	medium	2	0	benzoxadiazole; dihydropyridine; isopropyl ester; methyl ester
itraconazole	[no description available]	medium	2	0	piperazines
ketamine	[no description available]	medium	2	0	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic
ketanserin	[no description available]	medium	2	0	aromatic ketone; organofluorine compound; piperidines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
ketoconazole	[no description available]	medium	4	0	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
ketoconazole	[no description available]	medium	4	1	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
ketoprofen	[no description available]	medium	1	0	benzophenones; oxo monocarboxylic acid	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
khellin	[no description available]	medium	1	0	furanochromone; organic heterotricyclic compound; oxacycle	anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent
labetalol	[no description available]	medium	2	0	benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound
lamotrigine	[no description available]	medium	2	0	1,2,4-triazines; dichlorobenzene; primary arylamine	anticonvulsant; antidepressant; antimanic drug; calcium channel blocker; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; excitatory amino acid antagonist; geroprotector; non-narcotic analgesic; xenobiotic
lansoprazole	[no description available]	medium	2	0	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
beta-lapachone	[no description available]	medium	1	0	benzochromenone; orthoquinones	anti-inflammatory agent; antineoplastic agent; plant metabolite
leflunomide	[no description available]	high	3	0	(trifluoromethyl)benzenes; isoxazoles; monocarboxylic acid amide	antineoplastic agent; antiparasitic agent; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; hepatotoxic agent; immunosuppressive agent; non-steroidal anti-inflammatory drug; prodrug; pyrimidine synthesis inhibitor; tyrosine kinase inhibitor
lofepramine	[no description available]	medium	2	0	aromatic ketone; dibenzoazepine; monochlorobenzenes; tertiary amino compound	antidepressant
lomustine	[no description available]	medium	2	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
loperamide	[no description available]	medium	1	0	monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
losartan	[no description available]	medium	1	0	biphenylyltetrazole; imidazoles	angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist
malathion	[no description available]	medium	1	0	diester; ethyl ester; organic thiophosphate
diisopropyl 1,3-dithiol-2-ylidenemalonate	[no description available]	medium	1	0	isopropyl ester
mazindol	[no description available]	medium	1	0	organic molecular entity
mebendazole	[no description available]	medium	2	0	aromatic ketone; benzimidazoles; carbamate ester	antinematodal drug; microtubule-destabilising agent; tubulin modulator
meclizine	[no description available]	medium	1	0	diarylmethane
meclofenoxate	[no description available]	medium	1	0	monocarboxylic acid
mefenamic acid	[no description available]	medium	2	0	aminobenzoic acid; secondary amino compound	analgesic; antipyretic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
vitamin k 3	[no description available]	medium	2	0	1,4-naphthoquinones; vitamin K	angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical
meperidine	[no description available]	medium	1	0	ethyl ester; piperidinecarboxylate ester; tertiary amino compound	antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
mephenytoin	[no description available]	medium	1	0	imidazolidine-2,4-dione	anticonvulsant
mepivacaine	[no description available]	medium	2	0	piperidinecarboxamide	drug allergen; local anaesthetic
meprobamate	[no description available]	medium	1	0	organic molecular entity
mesalamine	[no description available]	medium	1	0	amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols	non-steroidal anti-inflammatory drug
metformin	[no description available]	medium	3	0	guanidines	environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic
methadone	[no description available]	medium	1	0	benzenes; diarylmethane; ketone; tertiary amino compound
methoxsalen	[no description available]	medium	1	0	aromatic ether; psoralens	antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite
methoxyflurane	[no description available]	medium	1	0	ether; organochlorine compound; organofluorine compound	hepatotoxic agent; inhalation anaesthetic; nephrotoxic agent; non-narcotic analgesic
methyl salicylate	[no description available]	medium	2	0	benzoate ester; methyl ester; salicylates	flavouring agent; insect attractant; metabolite
methylphenidate	[no description available]	medium	1	0	beta-amino acid ester; methyl ester; piperidines
methyprylon	[no description available]	medium	2	0	organic molecular entity
metyrapone	[no description available]	medium	2	0	aromatic ketone	antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
mianserin	[no description available]	medium	3	0	dibenzoazepine	adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; H1-receptor antagonist; histamine agonist; sedative; serotonergic antagonist
miconazole	[no description available]	medium	1	0	dichlorobenzene; ether; imidazoles
midazolam	[no description available]	medium	3	0	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
minoxidil	[no description available]	medium	2	0	dialkylarylamine; tertiary amino compound
mirtazapine	[no description available]	medium	2	0	benzazepine; tetracyclic antidepressant	alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; oneirogen; serotonergic antagonist
mitotane	[no description available]	medium	1	0	diarylmethane
mitoxantrone	[no description available]	medium	1	0	dihydroxyanthraquinone	analgesic; antineoplastic agent
modafinil	[no description available]	medium	2	0	monocarboxylic acid amide; sulfoxide
moxisylyte	[no description available]	medium	2	0	monoterpenoid
deet	[no description available]	medium	1	0	benzamides; monocarboxylic acid amide	environmental contaminant; insect repellent; xenobiotic
nabumetone	[no description available]	medium	1	0	methoxynaphthalene; methyl ketone	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
nalidixic acid	[no description available]	medium	3	0	1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; DNA synthesis inhibitor
nefazodone	[no description available]	medium	3	0	aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles	alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor
nevirapine	[no description available]	medium	2	0	cyclopropanes; dipyridodiazepine	antiviral drug; HIV-1 reverse transcriptase inhibitor
nialamide	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
niceritrol	[no description available]	medium	1	0	organic molecular entity
niflumic acid	[no description available]	medium	1	0	aromatic carboxylic acid; pyridines
nilutamide	[no description available]	medium	1	0	(trifluoromethyl)benzenes; C-nitro compound; imidazolidinone	androgen antagonist; antineoplastic agent
nimesulide	[no description available]	medium	2	0	aromatic ether; C-nitro compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
nimodipine	[no description available]	medium	3	0	2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester	antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent
nisoldipine	[no description available]	medium	2	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester
nitrazepam	[no description available]	medium	3	0	1,4-benzodiazepinone; C-nitro compound	anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative
nitrendipine	[no description available]	medium	3	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester	antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent
nitroglycerin	[no description available]	medium	1	0	nitroglycerol	explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic
masoprocol	[no description available]	medium	1	0	catechols; lignan; tetrol	antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite
norfloxacin	[no description available]	medium	5	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic
norfloxacin	[no description available]	medium	5	1	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic
nortriptyline	[no description available]	medium	3	0	organic tricyclic compound; secondary amine	adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite
ondansetron	[no description available]	medium	2	0	carbazoles
orphenadrine	[no description available]	medium	1	0	ether; tertiary amino compound	antidyskinesia agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
oxamniquine	[no description available]	medium	2	0	aromatic primary alcohol; C-nitro compound; quinolines; secondary amino compound
oxaprozin	[no description available]	medium	2	0	1,3-oxazoles; monocarboxylic acid	analgesic; non-steroidal anti-inflammatory drug
oxazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; organochlorine compound	anxiolytic drug; environmental contaminant; xenobiotic
oxethazaine	[no description available]	medium	1	0	amino acid amide
oxprenolol	[no description available]	medium	1	0	aromatic ether
oxybenzone	[no description available]	medium	1	0	hydroxybenzophenone; monomethoxybenzene	dermatologic drug; environmental contaminant; protective agent; ultraviolet filter; xenobiotic
oxyphenbutazone	[no description available]	high	2	0	phenols; pyrazolidines	antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite
aminosalicylic acid	[no description available]	medium	1	0	aminobenzoic acid; phenols	antitubercular agent
pantoprazole	[no description available]	medium	1	0	aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic
pemoline	[no description available]	medium	2	0	1,3-oxazoles	central nervous system stimulant
pentobarbital	[no description available]	medium	3	0	barbiturates	GABAA receptor agonist
perazine	[no description available]	medium	1	0	N-alkylpiperazine; N-methylpiperazine; phenothiazines	dopaminergic antagonist; phenothiazine antipsychotic drug
perphenazine	[no description available]	medium	3	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug
phenacetin	[no description available]	medium	3	0	acetamides; aromatic ether	cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug
phenobarbital	[no description available]	medium	2	0	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
phenolphthalein	[no description available]	medium	2	0	phenols
phenoxybenzamine	[no description available]	medium	1	0	aromatic amine
phenylbutazone	[no description available]	medium	4	0	pyrazolidines	antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
moxonidine	[no description available]	medium	1	0	organohalogen compound; pyrimidines
pinacidil	[no description available]	medium	1	0	pyridines
pipemidic acid	[no description available]	medium	1	0	amino acid; monocarboxylic acid; N-arylpiperazine; pyridopyrimidine; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor
piperazine	[no description available]	medium	1	0	azacycloalkane; piperazines; saturated organic heteromonocyclic parent	anthelminthic drug
praziquantel	[no description available]	medium	2	0	isoquinolines
prazosin	[no description available]	medium	2	0	aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
primaquine	[no description available]	medium	2	0	aminoquinoline; aromatic ether; N-substituted diamine	antimalarial
primidone	[no description available]	medium	2	0	pyrimidone	anticonvulsant; environmental contaminant; xenobiotic
probenecid	[no description available]	medium	7	0	benzoic acids; sulfonamide	uricosuric drug
probenecid	[no description available]	medium	7	1	benzoic acids; sulfonamide	uricosuric drug
probucol	[no description available]	medium	1	0	dithioketal; polyphenol	anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug
procarbazine	[no description available]	medium	1	0	benzamides; hydrazines	antineoplastic agent
prochlorperazine	[no description available]	medium	2	0	N-alkylpiperazine; N-methylpiperazine; organochlorine compound; phenothiazines	alpha-adrenergic antagonist; antiemetic; cholinergic antagonist; dopamine receptor D2 antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic
promethazine	[no description available]	medium	3	0	phenothiazines; tertiary amine	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative
propofol	[no description available]	medium	1	0	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative
pyridinolcarbamate	[no description available]	medium	1	0	pyridines
pyrimethamine	[no description available]	medium	1	0	aminopyrimidine; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
opc 12759	[no description available]	medium	1	0	secondary carboxamide
riluzole	[no description available]	medium	2	0	benzothiazoles
rofecoxib	[no description available]	medium	3	0	butenolide; sulfone	analgesic; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
salicylamide	[no description available]	medium	1	0	phenols; salicylamides	antirheumatic drug; non-narcotic analgesic
sevoflurane	[no description available]	medium	1	0	ether; organofluorine compound	central nervous system depressant; inhalation anaesthetic; platelet aggregation inhibitor
sibutramine	[no description available]	medium	1	0	organochlorine compound; tertiary amino compound	anti-obesity agent; serotonin uptake inhibitor
sulfadiazine	[no description available]	high	7	3	pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; antiprotozoal drug; coccidiostat; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic
sulfadiazine	[no description available]	high	7	0	pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; antiprotozoal drug; coccidiostat; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic
4-phenylbutyric acid, sodium salt	[no description available]	medium	1	0	organic sodium salt	EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector; neuroprotective agent; orphan drug; prodrug
vorinostat	[no description available]	medium	2	0	dicarboxylic acid diamide; hydroxamic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
sulfadimethoxine	[no description available]	medium	2	0	aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic
sulfamerazine	[no description available]	medium	1	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen
sulfameter	[no description available]	medium	1	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antiinfective agent; leprostatic drug; renal agent
sulfamethazine	[no description available]	high	5	1	pyrimidines; sulfonamide antibiotic; sulfonamide	antibacterial drug; antiinfective agent; antimicrobial agent; carcinogenic agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; ligand; xenobiotic
sulfamethazine	[no description available]	high	5	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antibacterial drug; antiinfective agent; antimicrobial agent; carcinogenic agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; ligand; xenobiotic
sulfamethizole	[no description available]	high	2	0	sulfonamide antibiotic; sulfonamide; thiadiazoles	antiinfective agent; antimicrobial agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfamethoxazole	[no description available]	high	11	1	isoxazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; antiinfective agent; antimicrobial agent; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; epitope; P450 inhibitor; xenobiotic
sulfamethoxazole	[no description available]	high	11	0	isoxazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; antiinfective agent; antimicrobial agent; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; epitope; P450 inhibitor; xenobiotic
sulfanilamide	[no description available]	medium	1	0	substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor
sulfaphenazole	[no description available]	medium	1	0	primary amino compound; pyrazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial drug; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor; P450 inhibitor
sulfapyridine	[no description available]	medium	1	0	pyridines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; dermatologic drug; drug allergen; environmental contaminant; xenobiotic
sulfasalazine	[no description available]	medium	3	0
sulfinpyrazone	[no description available]	medium	1	0	pyrazolidines; sulfoxide	uricosuric drug
2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol	[no description available]	medium	1	0	alkylbenzene
sulpiride	[no description available]	medium	1	0	benzamides; N-alkylpyrrolidine; sulfonamide	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
suprofen	[no description available]	medium	1	0	aromatic ketone; monocarboxylic acid; thiophenes	antirheumatic drug; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
suramin	[no description available]	medium	2	0	naphthalenesulfonic acid; phenylureas; secondary carboxamide	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug
gatifloxacin	[no description available]	medium	2	0	N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
tegafur	[no description available]	medium	1	0	organohalogen compound; pyrimidines
temazepam	[no description available]	medium	1	0	benzodiazepine
temozolomide	[no description available]	medium	2	0	imidazotetrazine; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; prodrug
terbutaline	[no description available]	medium	3	0	phenylethanolamines; resorcinols	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent
terfenadine	[no description available]	medium	2	0	diarylmethane
thalidomide	[no description available]	medium	3	0	phthalimides; piperidones
thiabendazole	[no description available]	medium	1	0	1,3-thiazoles; benzimidazole fungicide; benzimidazoles	antifungal agrochemical; antinematodal drug
tiaprofenic acid	[no description available]	medium	1	0	aromatic ketone; monocarboxylic acid; thiophenes	drug allergen; non-steroidal anti-inflammatory drug
ticlopidine	[no description available]	medium	2	0	monochlorobenzenes; thienopyridine	anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor
tiopronin	[no description available]	medium	2	0	N-acyl-amino acid
tizanidine	[no description available]	medium	3	0	benzothiadiazole; imidazoles	alpha-adrenergic agonist; muscle relaxant
tolazamide	[no description available]	medium	1	0	N-sulfonylurea	hypoglycemic agent; potassium channel blocker
tolbutamide	[no description available]	medium	2	0	N-sulfonylurea	human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker
tolperisone	[no description available]	medium	2	0	aromatic ketone
ultram	[no description available]	medium	2	0	aromatic ether; tertiary alcohol; tertiary amino compound
tranexamic acid	[no description available]	medium	1	0	amino acid
triclosan	[no description available]	medium	1	0	aromatic ether; dichlorobenzene; monochlorobenzenes; phenols	antibacterial agent; antimalarial; drug allergen; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; fungicide; persistent organic pollutant; xenobiotic
trimethadione	[no description available]	medium	2	0	oxazolidinone	anticonvulsant; geroprotector
troglitazone	[no description available]	medium	3	0	chromanes; thiazolidinone	anticoagulant; anticonvulsant; antineoplastic agent; antioxidant; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; hypoglycemic agent; platelet aggregation inhibitor; vasodilator agent
venlafaxine	[no description available]	medium	3	0	cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound	adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic
vesnarinone	[no description available]	medium	1	0	organic molecular entity
vigabatrin	[no description available]	medium	2	0	gamma-amino acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
ici 204,219	[no description available]	medium	2	0	carbamate ester; indoles; N-sulfonylcarboxamide	anti-asthmatic agent; leukotriene antagonist
zolpidem	[no description available]	medium	1	0	imidazopyridine	central nervous system depressant; GABA agonist; sedative
guanidine hydrochloride	[no description available]	medium	1	0	one-carbon compound; organic chloride salt	protein denaturant
cortisone acetate	[no description available]	medium	1	0	corticosteroid hormone
mitomycin	[no description available]	medium	1	0	mitomycin	alkylating agent; antineoplastic agent
estriol	[no description available]	medium	1	0	16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid	estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite
cephaloridine	[no description available]	medium	1	0	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
phentolamine	[no description available]	medium	2	0	imidazoles; phenols; substituted aniline; tertiary amino compound	alpha-adrenergic antagonist; vasodilator agent
sorbitol	[no description available]	medium	2	0	glucitol	cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent
floxuridine	[no description available]	medium	2	0	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent
piperonyl butoxide	[no description available]	medium	1	0	benzodioxoles	pesticide synergist
bromouracil	[no description available]	medium	1	0	nucleobase analogue; pyrimidines	mutagen
3,3',5-triiodothyroacetic acid	[no description available]	medium	1	0
histamine dihydrochloride	[no description available]	medium	1	0
thyroxine	[no description available]	medium	1	0	2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine	antithyroid drug; human metabolite; mouse metabolite; thyroid hormone
dextroamphetamine	[no description available]	medium	1	0	1-phenylpropan-2-amine	adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent
carbachol	[no description available]	medium	1	0	ammonium salt; carbamate ester	cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic
norethindrone acetate	[no description available]	medium	2	0	3-oxo-Delta(4) steroid; acetate ester; terminal acetylenic compound	progestin; synthetic oral contraceptive
spironolactone	[no description available]	medium	1	0	3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester	aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic
cyclobarbital	[no description available]	medium	2	0	barbiturates
allobarbital	[no description available]	medium	1	0	barbiturates
penicillamine	[no description available]	medium	2	0	non-proteinogenic alpha-amino acid; penicillamine	antirheumatic drug; chelator; copper chelator; drug allergen
trichlorfon	[no description available]	medium	1	0	organic phosphonate; organochlorine compound; phosphonic ester	agrochemical; anthelminthic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide
estrone	[no description available]	medium	2	0	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite
oxandrolone	[no description available]	medium	2	0	17beta-hydroxy steroid; 3-oxo steroid; anabolic androgenic steroid; oxa-steroid	anabolic agent; androgen
dehydroepiandrosterone	[no description available]	medium	1	0	17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid	androgen; human metabolite; mouse metabolite
nad	[no description available]	medium	1	0	NAD	geroprotector
penicillin g	[no description available]	medium	13	0	penicillin allergen; penicillin	antibacterial drug; drug allergen; epitope
pilocarpine	[no description available]	medium	2	0	pilocarpine	antiglaucoma drug
triiodothyronine	[no description available]	medium	2	0	2-halophenol; amino acid zwitterion; iodophenol; iodothyronine	human metabolite; mouse metabolite; thyroid hormone
glutamine	[no description available]	medium	1	0	amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
cetrimonium bromide	[no description available]	medium	1	0	organic bromide salt; quaternary ammonium salt	detergent; surfactant
vincristine	[no description available]	medium	1	0	acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
physostigmine	[no description available]	medium	1	0	carbamate ester; indole alkaloid	antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic
sucrose	[no description available]	medium	1	0	glycosyl glycoside	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent
ethinyl estradiol	[no description available]	medium	3	0	17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound	xenoestrogen
testosterone propionate	[no description available]	medium	2	0	steroid ester
apomorphine	[no description available]	medium	2	0	aporphine alkaloid	alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug
aminopyrine	[no description available]	medium	3	0	pyrazolone; tertiary amino compound	antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
methyltestosterone	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; enone	anabolic agent; androgen; antineoplastic agent
tetrabenazine	[no description available]	medium	1	0	benzoquinolizine; cyclic ketone; tertiary amino compound
cephalothin	[no description available]	high	4	0	azabicycloalkene; beta-lactam antibiotic allergen; carboxylic acid; cephalosporin; semisynthetic derivative; thiophenes	antibacterial drug; antimicrobial agent
uridine	[no description available]	medium	1	0	uridines	drug metabolite; fundamental metabolite; human metabolite
kanamycin a	[no description available]	medium	12	0	kanamycins	bacterial metabolite
phenylephrine	[no description available]	medium	1	0	phenols; phenylethanolamines; secondary amino compound	alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent
levodopa	[no description available]	medium	2	0	amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug
niridazole	[no description available]	medium	1	0	1,3-thiazoles; C-nitro compound
carbaryl	[no description available]	medium	1	0	carbamate ester; naphthalenes	acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant growth retardant
lactose	[no description available]	medium	1	0	lactose
methionine	[no description available]	medium	2	0	aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid	antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical
Mebutamate	[no description available]	medium	1	0	organic molecular entity
colchicine	[no description available]	medium	3	0	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
norethindrone	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol	progestin; synthetic oral contraceptive
norethynodrel	[no description available]	medium	1	0	oxo steroid
benziodarone	[no description available]	medium	1	0	aromatic ketone
ampicillin	[no description available]	medium	18	0	beta-lactam antibiotic; penicillin allergen; penicillin	antibacterial drug
ampicillin	[no description available]	medium	18	1	beta-lactam antibiotic; penicillin allergen; penicillin	antibacterial drug
mannitol	[no description available]	medium	1	0	mannitol	allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent
cytarabine	[no description available]	high	4	0	beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside	antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent
medroxyprogesterone acetate	[no description available]	medium	2	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; corticosteroid; steroid ester	adjuvant; androgen; antineoplastic agent; antioxidant; female contraceptive drug; inhibitor; progestin; synthetic oral contraceptive
mestranol	[no description available]	medium	1	0	17beta-hydroxy steroid; aromatic ether; terminal acetylenic compound	prodrug; xenoestrogen
methaqualone	[no description available]	medium	1	0	quinazolines	GABA agonist; sedative
trypan blue	[no description available]	medium	1	0
cordycepin	[no description available]	medium	1	0	3'-deoxyribonucleoside; adenosines	antimetabolite; nucleoside antibiotic
tryptophan	[no description available]	medium	1	0	erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan	antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
arginine	[no description available]	medium	2	0	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
trichloroacetic acid	[no description available]	medium	1	0	monocarboxylic acid; organochlorine compound	carcinogenic agent; metabolite; mouse metabolite
triamcinolone acetonide	[no description available]	medium	2	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; cyclic ketal; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug
allylpropymal	[no description available]	medium	1	0	barbiturates
butobarbital	[no description available]	medium	1	0	barbiturates
trichloroethylene	[no description available]	medium	3	0	chloroethenes	inhalation anaesthetic; mouse metabolite
dehydrocholic acid	[no description available]	medium	1	0	12-oxo steroid; 3-oxo-5beta-steroid; 7-oxo steroid; oxo-5beta-cholanic acid	gastrointestinal drug
methylprednisolone	[no description available]	medium	2	0	6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic
isosorbide dinitrate	[no description available]	medium	1	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
synephrine	[no description available]	medium	1	0	ethanolamines; phenethylamine alkaloid; phenols	alpha-adrenergic agonist; plant metabolite
benzoyl peroxide	[no description available]	medium	1	0	carbonyl compound
furan	[no description available]	medium	1	0	furans; mancude organic heteromonocyclic parent; monocyclic heteroarene	carcinogenic agent; hepatotoxic agent; Maillard reaction product
ergotamine	[no description available]	medium	1	0	peptide ergot alkaloid	alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent
neostigmine bromide	[no description available]	medium	1	0	bromide salt
phenformin	[no description available]	medium	2	0	biguanides	antineoplastic agent; geroprotector; hypoglycemic agent
mephobarbital	[no description available]	medium	1	0	barbiturates	anticonvulsant
hexachlorobenzene	[no description available]	medium	1	0	aromatic fungicide; chlorobenzenes	antifungal agrochemical; carcinogenic agent; persistent organic pollutant
trinitrotoluene	[no description available]	medium	1	0	trinitrotoluene	explosive
framycetin	[no description available]	medium	9	0	aminoglycoside	allergen; antibacterial drug; Escherichia coli metabolite
pyrazolanthrone	[no description available]	medium	1	0	anthrapyrazole; aromatic ketone; cyclic ketone	antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector
meglumine	[no description available]	medium	2	0	hexosamine; secondary amino compound
meglumine	[no description available]	medium	2	1	hexosamine; secondary amino compound
cinchophen	[no description available]	medium	1	0	quinolines
yohimbine	[no description available]	medium	1	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate	alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist
mequinol	[no description available]	medium	1	0	methoxybenzenes; phenols	metabolite
quinestrol	[no description available]	medium	1	0	17-hydroxy steroid; terminal acetylenic compound	xenoestrogen
dydrogesterone	[no description available]	medium	1	0	20-oxo steroid; 3-oxo-Delta(4) steroid	progestin
ephedrine	[no description available]	medium	2	0	phenethylamine alkaloid; phenylethanolamines	bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
chlormadinone acetate	[no description available]	medium	2	0	corticosteroid hormone
2,3-dimercaptosuccinic acid	[no description available]	medium	1	0
evans blue	[no description available]	medium	2	0	organic sodium salt	fluorochrome; histological dye; sodium channel blocker; teratogenic agent
testosterone enanthate	[no description available]	medium	1	0	heptanoate ester; sterol ester	androgen
aminophylline	[no description available]	medium	2	0	mixture	bronchodilator agent; cardiotonic drug
azacitidine	[no description available]	medium	1	0	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
phenyramidol	[no description available]	medium	1	0	aminopyridine
carbutamide	[no description available]	medium	2	0	benzenes; sulfonamide
nandrolone decanoate	[no description available]	medium	1	0	steroid ester
bucladesine	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide; butanamides; butyrate ester	agonist; cardiotonic drug; vasodilator agent
betamethasone	[no description available]	high	6	3	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic agent; anti-inflammatory drug; immunosuppressive agent
betamethasone	[no description available]	high	6	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic agent; anti-inflammatory drug; immunosuppressive agent
perflubron	[no description available]	medium	1	0	haloalkane; organobromine compound; perfluorinated compound	blood substitute; radioopaque medium
cyproterone acetate	[no description available]	medium	1	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester	androgen antagonist; geroprotector; progestin
dextropropoxyphene	[no description available]	medium	2	0	1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate	mu-opioid receptor agonist; opioid analgesic
glycyrrhetinic acid	[no description available]	medium	1	0	cyclic terpene ketone; hydroxy monocarboxylic acid; pentacyclic triterpenoid	immunomodulator; plant metabolite
chenodeoxycholic acid	[no description available]	medium	2	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
dihydralazine	[no description available]	medium	2	0	phthalazines
phenylpropanolamine	[no description available]	medium	1	0	amphetamines; phenethylamine alkaloid	plant metabolite
dihydroergotamine	[no description available]	medium	1	0	ergot alkaloid; semisynthetic derivative	dopamine agonist; non-narcotic analgesic; serotonergic agonist; sympatholytic agent; vasoconstrictor agent
podophyllotoxin	[no description available]	medium	1	0	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
hesperidin	[no description available]	medium	1	0	3'-hydroxyflavanones; 4'-methoxyflavanones; dihydroxyflavanone; disaccharide derivative; flavanone glycoside; monomethoxyflavanone; rutinoside	mutagen
chlormethiazole	[no description available]	medium	1	0	thiazoles
methamphetamine	[no description available]	medium	1	0	amphetamines; secondary amine	central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic
gentian violet	[no description available]	medium	1	0	organic chloride salt	anthelminthic drug; antibacterial agent; antifungal agent; antiseptic drug; histological dye
hematoporphyrin	[no description available]	medium	1	0
lactulose	[no description available]	medium	1	0	glycosylfructose	gastrointestinal drug; laxative
megestrol acetate	[no description available]	medium	2	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester	antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive
acetylcysteine	[no description available]	medium	21	0	acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid	antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary
acetylcysteine	[no description available]	medium	21	4	acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid	antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary
erythromycin stearate	[no description available]	medium	1	0	aminoglycoside
erythromycin	[no description available]	medium	23	0	cyclic ketone; erythromycin
vinblastine	[no description available]	medium	2	0
estradiol valerate	[no description available]	medium	1	0	steroid ester
vancomycin	[no description available]	high	6	0	glycopeptide	antibacterial drug; antimicrobial agent; bacterial metabolite
d-alpha tocopherol	[no description available]	medium	3	0	alpha-tocopherol	algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite
dronabinol	[no description available]	medium	1	0	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic
amiloride	[no description available]	medium	1	0	aromatic amine; guanidines; organochlorine compound; pyrazines	diuretic; sodium channel blocker
pimozide	[no description available]	medium	1	0	benzimidazoles; heteroarylpiperidine; organofluorine compound	antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
sulfadoxine	[no description available]	medium	3	0	pyrimidines; sulfonamide	antibacterial drug; antimalarial
sulfadoxine	[no description available]	medium	3	1	pyrimidines; sulfonamide	antibacterial drug; antimalarial
acadesine	[no description available]	medium	1	0	1-ribosylimidazolecarboxamide; aminoimidazole; nucleoside analogue	antineoplastic agent; platelet aggregation inhibitor
stavudine	[no description available]	medium	2	0	dihydrofuran; nucleoside analogue; organic molecular entity	antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
doxifluridine	[no description available]	medium	1	0	organofluorine compound; pyrimidine 5'-deoxyribonucleoside	antimetabolite; antineoplastic agent; prodrug
iproclozide	[no description available]	medium	1	0	aromatic ether
streptomycin	[no description available]	high	9	1	antibiotic antifungal drug; antibiotic fungicide; streptomycins	antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor
streptomycin	[no description available]	high	9	0	antibiotic antifungal drug; antibiotic fungicide; streptomycins	antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor
cladribine	[no description available]	medium	2	0	organochlorine compound; purine 2'-deoxyribonucleoside	antineoplastic agent; immunosuppressive agent
carbenicillin disodium	[no description available]	medium	1	0	organic sodium salt
dehydroemetine	[no description available]	medium	1	0	aromatic ether; isoquinolines; pyridoisoquinoline	antileishmanial agent; antimalarial; antiprotozoal drug
benorilate	[no description available]	medium	2	0	carbonyl compound
trimetazidine	[no description available]	medium	1	0	aromatic amine
floxacillin	[no description available]	medium	2	0	penicillin allergen; penicillin	antibacterial drug
vidarabine	[no description available]	medium	1	0	beta-D-arabinoside; purine nucleoside	antineoplastic agent; bacterial metabolite; nucleoside antibiotic
tiadenol	[no description available]	medium	1	0	aliphatic sulfide
zalcitabine	[no description available]	medium	3	0	pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
camptothecin	[no description available]	medium	2	0	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
stanozolol	[no description available]	medium	1	0	17beta-hydroxy steroid; anabolic androgenic steroid; organic heteropentacyclic compound; tertiary alcohol	anabolic agent; androgen
clodronic acid	[no description available]	medium	1	0	1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound	antineoplastic agent; bone density conservation agent
xipamide	[no description available]	medium	1	0	benzamides
levamisole	[no description available]	medium	2	0	6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole	antinematodal drug; antirheumatic drug; EC 3.1.3.1 (alkaline phosphatase) inhibitor; immunological adjuvant; immunomodulator
pizotyline	[no description available]	medium	1	0	benzocycloheptathiophene	histamine antagonist; muscarinic antagonist; serotonergic antagonist
isosorbide-5-mononitrate	[no description available]	medium	2	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
danazol	[no description available]	medium	2	0	17beta-hydroxy steroid; terminal acetylenic compound	anti-estrogen; estrogen antagonist; geroprotector
daunorubicin	[no description available]	medium	1	0	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite
carbimazole	[no description available]	medium	1	0	1,3-dihydroimidazole-2-thiones; carbamate ester	antithyroid drug; prodrug
bromocriptine	[no description available]	medium	1	0	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist
triamcinolone	[no description available]	medium	1	0	11beta-hydroxy steroid; 16alpha-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug
oxyphenisatin	[no description available]	medium	1	0	indoles
tetrachloroethylene	[no description available]	medium	1	0	chlorocarbon; chloroethenes	nephrotoxic agent
ursodeoxycholic acid	[no description available]	medium	1	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
butachlor	[no description available]	medium	1	0	aromatic amide; organochlorine compound; tertiary carboxamide	environmental contaminant; herbicide; xenobiotic
rose bengal b disodium salt	[no description available]	medium	1	0
glutamic acid	[no description available]	medium	1	0	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
cefazolin	[no description available]	medium	8	0	beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles	antibacterial drug
cefazolin	[no description available]	medium	8	1	beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles	antibacterial drug
amoxicillin	[no description available]	medium	19	0	penicillin allergen; penicillin	antibacterial drug
amoxicillin	[no description available]	medium	19	2	penicillin allergen; penicillin	antibacterial drug
timolol	[no description available]	medium	2	0	timolol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
nicergoline	[no description available]	medium	1	0	organic heterotetracyclic compound; organonitrogen heterocyclic compound
oxcarbazepine	[no description available]	medium	2	0	cyclic ketone; dibenzoazepine	anticonvulsant; drug allergen
amineptin	[no description available]	medium	1	0	amino acid; carbocyclic fatty acid; carbotricyclic compound; secondary amino compound	antidepressant; dopamine uptake inhibitor
zidovudine	[no description available]	medium	3	0	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
pirprofen	[no description available]	medium	1	0	pyrroline
tobramycin	[no description available]	high	5	0	amino cyclitol glycoside	antibacterial agent; antimicrobial agent; toxin
paclitaxel	[no description available]	medium	2	0	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
etoposide	[no description available]	medium	3	0	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
dobutamine	[no description available]	medium	1	0	catecholamine; secondary amine	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
ribavirin	[no description available]	medium	3	0	1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide	anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
amikacin	[no description available]	high	4	0	alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide	antibacterial drug; antimicrobial agent; nephrotoxin
ticrynafen	[no description available]	medium	1	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid; thiophenes	antihypertensive agent; hepatotoxic agent; loop diuretic
methyldopa	[no description available]	medium	2	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent
bezafibrate	[no description available]	medium	1	0	aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
sq-11725	[no description available]	medium	1	0
benoxaprofen	[no description available]	medium	1	0	1,3-benzoxazoles; monocarboxylic acid; monochlorobenzenes	antipsoriatic; antipyretic; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; hepatotoxic agent; nephrotoxin; non-narcotic analgesic; non-steroidal anti-inflammatory drug; protein kinase C agonist
permethrin	[no description available]	medium	1	0	cyclopropanecarboxylate ester; cyclopropanes	agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide
pirfenidone	[no description available]	medium	1	0	pyridone	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
desogestrel	[no description available]	medium	1	0	17beta-hydroxy steroid; terminal acetylenic compound	contraceptive drug; progestin; synthetic oral contraceptive
muzolimine	[no description available]	medium	2	0	dichlorobenzene
epirubicin	[no description available]	medium	2	0	aminoglycoside; anthracycline antibiotic; anthracycline; deoxy hexoside; monosaccharide derivative; p-quinones; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	antimicrobial agent; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
desflurane	[no description available]	medium	1	0	organofluorine compound	inhalation anaesthetic
piperacillin	[no description available]	medium	1	0	penicillin allergen; penicillin	antibacterial drug
paroxetine	[no description available]	medium	1	0	aromatic ether; benzodioxoles; organofluorine compound; piperidines	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
captopril	[no description available]	medium	2	0	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
cefoperazone	[no description available]	medium	1	0	cephalosporin	antibacterial drug
foscarnet sodium	[no description available]	medium	2	0	one-carbon compound; organic sodium salt	antiviral drug
moxalactam	[no description available]	medium	1	0	cephalosporin; oxacephem	antibacterial drug
nicorandil	[no description available]	medium	2	0	nitrate ester; pyridinecarboxamide	potassium channel opener; vasodilator agent
cefadroxil anhydrous	[no description available]	medium	3	0	cephalosporin	antibacterial drug
encainide	[no description available]	medium	1	0	benzamides; piperidines	anti-arrhythmia drug; sodium channel blocker
cefaclor anhydrous	[no description available]	medium	2	0	cephalosporin	antibacterial drug; drug allergen
miglustat	[no description available]	medium	1	0	piperidines; tertiary amino compound	anti-HIV agent; EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor
cefotetan	[no description available]	medium	3	0
lovastatin	[no description available]	medium	2	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug
enoximone	[no description available]	medium	2	0	aromatic ketone
piritrexim	[no description available]	medium	1	0
simvastatin	[no description available]	medium	2	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic)	EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug
pravastatin	[no description available]	medium	1	0	3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic)	anticholesteremic drug; environmental contaminant; metabolite; xenobiotic
atomoxetine hydrochloride	[no description available]	medium	2	0	hydrochloride	adrenergic uptake inhibitor; antidepressant
quinapril	[no description available]	medium	3	0	dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
gepirone	[no description available]	medium	1	0	N-arylpiperazine
mifepristone	[no description available]	medium	2	0	3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound	abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive
sparfloxacin	[no description available]	medium	2	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone
zileuton	[no description available]	medium	2	0	1-benzothiophenes; ureas	anti-asthmatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor; leukotriene antagonist; non-steroidal anti-inflammatory drug
clopidogrel	[no description available]	medium	1	0	methyl ester; monochlorobenzenes; thienopyridine	anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor
cidofovir anhydrous	[no description available]	medium	2	0	phosphonic acids; pyrimidone	anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent
bromfenac	[no description available]	medium	2	0	aromatic amino acid; benzophenones; organobromine compound; substituted aniline	non-narcotic analgesic; non-steroidal anti-inflammatory drug
atorvastatin	[no description available]	medium	1	0	aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic)	environmental contaminant; xenobiotic
lamivudine	[no description available]	medium	3	0	monothioacetal; nucleoside analogue; oxacycle; primary alcohol	allergen; anti-HBV agent; antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor; prodrug
duloxetine	[no description available]	medium	1	0	duloxetine
irinotecan	[no description available]	medium	1	0	carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug
valsartan	[no description available]	medium	2	0	biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
adefovir dipivoxil	[no description available]	medium	2	0	6-aminopurines; carbonate ester; ether; organic phosphonate	antiviral drug; DNA synthesis inhibitor; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent; prodrug
capecitabine	[no description available]	medium	1	0	carbamate ester; cytidines; organofluorine compound	antimetabolite; antineoplastic agent; prodrug
adenosine	[no description available]	medium	2	0	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
halofuginone	[no description available]	medium	1	0	quinazolines
ortho-cept	[no description available]	medium	1	0
cefprozil	[no description available]	medium	1	0	cephalosporin; semisynthetic derivative	antibacterial drug
4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol	[no description available]	medium	1	0	stilbenoid
efavirenz	[no description available]	medium	2	0	acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound	antiviral drug; HIV-1 reverse transcriptase inhibitor
nelfinavir	[no description available]	medium	2	0	aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound	antineoplastic agent; HIV protease inhibitor
doxapram hydrochloride	[no description available]	medium	1	0	hydrochloride	central nervous system stimulant
1,5-anhydroglucitol	[no description available]	medium	1	0	anhydro sugar	human metabolite
betulinic acid	[no description available]	medium	1	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-HIV agent; anti-inflammatory agent; antimalarial; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; plant metabolite
amprenavir	[no description available]	medium	2	0	carbamate ester; sulfonamide; tetrahydrofuryl ester	antiviral drug; HIV protease inhibitor
glutathione disulfide	[no description available]	medium	1	0	glutathione derivative; organic disulfide	Escherichia coli metabolite; mouse metabolite
bendamustine	[no description available]	medium	1	0	benzimidazoles
erdosteine	[no description available]	medium	1	0	N-acyl-amino acid
mizolastine	[no description available]	medium	1	0	benzimidazoles
intoplicine	[no description available]	medium	1	0	pyridoindole
telmisartan	[no description available]	medium	2	0	benzimidazoles; biphenyls; carboxybiphenyl	angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic
dexfenfluramine	[no description available]	medium	1	0	fenfluramine	appetite depressant; serotonergic agonist; serotonin uptake inhibitor
2-methoxyestradiol	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite
medetomidine	[no description available]	medium	1	0	imidazoles
sertraline	[no description available]	medium	2	0	dichlorobenzene; secondary amino compound; tetralins	antidepressant; serotonin uptake inhibitor
picosulfate sodium	[no description available]	medium	1	0	aryl sulfate; pyridines
dienogest	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; aliphatic nitrile; steroid hormone	progesterone receptor agonist; progestin; synthetic oral contraceptive
morphazinamide	[no description available]	medium	1	0	morpholines; pyrazines; secondary carboxamide
dexrazoxane	[no description available]	medium	1	0	razoxane	antineoplastic agent; cardiovascular drug; chelator; immunosuppressive agent
voriconazole	[no description available]	medium	2	0	conazole antifungal drug; difluorobenzene; pyrimidines; tertiary alcohol; triazole antifungal drug	P450 inhibitor
cyclobutyrol	[no description available]	medium	1	0	hydroxy monocarboxylic acid	bile therapy drug
terlipressin	[no description available]	medium	1	0	polypeptide
isoflavone	[no description available]	medium	1	0	isoflavones
clevudine	[no description available]	medium	1	0
tetrandrine	[no description available]	medium	1	0	bisbenzylisoquinoline alkaloid; isoquinolines
rosiglitazone	[no description available]	medium	2	0	aminopyridine; thiazolidinediones	EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug
clarithromycin	[no description available]	medium	6	0	macrolide antibiotic	antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic
clarithromycin	[no description available]	medium	6	1	macrolide antibiotic	antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic
lopinavir	[no description available]	medium	2	0	amphetamines; dicarboxylic acid diamide	anticoronaviral agent; antiviral drug; HIV protease inhibitor
sr141716	[no description available]	medium	2	0	amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles	anti-obesity agent; appetite depressant; CB1 receptor antagonist
bosentan anhydrous	[no description available]	medium	2	0	primary alcohol; pyrimidines; sulfonamide	antihypertensive agent; endothelin receptor antagonist
selenomethionine	[no description available]	medium	1	0	amino acid zwitterion; selenomethionine	plant metabolite
perindopril	[no description available]	medium	2	0	alpha-amino acid ester; dicarboxylic acid monoester; ethyl ester; organic heterobicyclic compound	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
fingolimod	[no description available]	medium	1	0	aminodiol; primary amino compound	antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist
ecteinascidin 743	[no description available]	medium	1	0	acetate ester; azaspiro compound; bridged compound; hemiaminal; isoquinoline alkaloid; lactone; organic heteropolycyclic compound; organic sulfide; oxaspiro compound; polyphenol; tertiary amino compound	alkylating agent; angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; marine metabolite
nitisinone	[no description available]	medium	1	0	(trifluoromethyl)benzenes; C-nitro compound; cyclohexanones; mesotrione	EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor
marimastat	[no description available]	medium	1	0	hydroxamic acid; secondary carboxamide	antineoplastic agent; matrix metalloproteinase inhibitor
clofarabine	[no description available]	medium	2	0	adenosines; organofluorine compound	antimetabolite; antineoplastic agent
mitiglinide	[no description available]	medium	1	0	benzenes; monocarboxylic acid
imatinib mesylate	[no description available]	medium	1	0	methanesulfonate salt	anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
gefitinib	[no description available]	medium	2	0	aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine	[no description available]	medium	1	0	adenosines; monocarboxylic acid amide; organoiodine compound	adenosine A3 receptor agonist
methotrexate	[no description available]	high	4	0	dicarboxylic acid; monocarboxylic acid amide; pteridines	abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent
antiprimod	[no description available]	medium	1	0
sulbactam	[no description available]	medium	2	0	penicillanic acids
olmesartan medoxomil	[no description available]	medium	2	0	biphenyls
ilomastat	[no description available]	medium	1	0	hydroxamic acid; L-tryptophan derivative; N-acyl-amino acid	anti-inflammatory agent; antibacterial agent; antineoplastic agent; EC 3.4.24.24 (gelatinase A) inhibitor; neuroprotective agent
docetaxel	[no description available]	medium	1	0	hydrate; secondary alpha-hydroxy ketone	antineoplastic agent
atazanavir	[no description available]	medium	1	0	carbohydrazide	antiviral drug; HIV protease inhibitor
levofloxacin	[no description available]	medium	4	0	9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid; fluoroquinolone antibiotic; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor
ezetimibe	[no description available]	medium	2	0	azetidines; beta-lactam; organofluorine compound	anticholesteremic drug; antilipemic drug; antimetabolite
cariporide	[no description available]	medium	1	0
tezosentan	[no description available]	medium	1	0
moxifloxacin	[no description available]	medium	1	0	aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug
jtt 501	[no description available]	medium	1	0
naproxen	[no description available]	medium	2	0	methoxynaphthalene; monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
cyc 202	[no description available]	medium	1	0	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
paromomycin	[no description available]	medium	1	0	amino cyclitol glycoside; aminoglycoside antibiotic	anthelminthic drug; antibacterial drug; antiparasitic agent; antiprotozoal drug
avasimibe	[no description available]	medium	1	0	monoterpenoid
biotin	[no description available]	medium	1	0	biotins; vitamin B7	coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite
troleandomycin	[no description available]	medium	1	0	acetate ester; epoxide; macrolide antibiotic; monosaccharide derivative; polyketide; semisynthetic derivative	EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor; xenobiotic
deferasirox	[no description available]	medium	2	0	benzoic acids; monocarboxylic acid; phenols; triazoles	iron chelator
tbc-11251	[no description available]	medium	2	0	benzodioxoles
sitosterol, (3beta)-isomer	[no description available]	medium	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C29-steroid; phytosterols; stigmastane sterol	anticholesteremic drug; antioxidant; mouse metabolite; plant metabolite; sterol methyltransferase inhibitor
benzarone	[no description available]	medium	1	0	1-benzofurans
estramustine	[no description available]	medium	1	0	17beta-hydroxy steroid; carbamate ester; organochlorine compound	alkylating agent; antineoplastic agent; radiation protective agent
noscapine	[no description available]	medium	1	0	aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound	antineoplastic agent; antitussive; apoptosis inducer; plant metabolite
homoharringtonine	[no description available]	medium	1	0	alkaloid ester; enol ether; organic heteropentacyclic compound; tertiary alcohol	anticoronaviral agent; antineoplastic agent; apoptosis inducer; protein synthesis inhibitor
o-(chloroacetylcarbamoyl)fumagillol	[no description available]	medium	1	0	carbamate ester; organochlorine compound; semisynthetic derivative; sesquiterpenoid; spiro-epoxide	angiogenesis inhibitor; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; methionine aminopeptidase 2 inhibitor; retinoic acid receptor alpha antagonist
bortezomib	[no description available]	medium	2	0	amino acid amide; L-phenylalanine derivative; pyrazines	antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor
ritonavir	[no description available]	medium	2	0	1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas	antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic
nexavar	[no description available]	medium	1	0	organosulfonate salt
glucosamine	[no description available]	medium	1	0	D-glucosamine	Escherichia coli metabolite; geroprotector; mouse metabolite
meropenem	[no description available]	medium	2	0	alpha,beta-unsaturated monocarboxylic acid; carbapenemcarboxylic acid; organic sulfide; pyrrolidinecarboxamide	antibacterial agent; antibacterial drug; drug allergen
digitoxin	[no description available]	medium	2	0	cardenolide glycoside	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
saquinavir	[no description available]	medium	2	0	L-asparagine derivative; quinolines	antiviral drug; HIV protease inhibitor
netilmicin	[no description available]	medium	2	0
trimethaphan camsylate	[no description available]	medium	1	0
erythromycin estolate	[no description available]	medium	1	0	aminoglycoside sulfate salt; erythromycin derivative	enzyme inhibitor
cyclopamine	[no description available]	medium	1	0	piperidines	glioma-associated oncogene inhibitor
devazepide	[no description available]	medium	1	0	1,4-benzodiazepinone; indolecarboxamide	antineoplastic agent; apoptosis inducer; cholecystokinin antagonist; gastrointestinal drug
tolterodine	[no description available]	medium	1	0	tertiary amine	antispasmodic drug; muscarinic antagonist; muscle relaxant
doxorubicin hydrochloride	[no description available]	medium	1	0	anthracycline
erythromycin ethylsuccinate	[no description available]	medium	1	0	cyclic ketone; erythromycin derivative; ethyl ester; succinate ester
ao 128	[no description available]	medium	2	0	organic molecular entity
acarbose	[no description available]	medium	1	0	amino cyclitol; glycoside
tretinoin	[no description available]	medium	2	0	retinoic acid; vitamin A	anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule
retinol	[no description available]	medium	2	0	retinol; vitamin A	human metabolite; mouse metabolite; plant metabolite
alpha-D-fructofuranose 1,6-bisphosphate	[no description available]	medium	1	0	D-fructofuranose 1,6-bisphosphate
docosahexaenoate	[no description available]	medium	1	0	docosahexaenoic acid; omega-3 fatty acid	algal metabolite; antineoplastic agent; Daphnia tenebrosa metabolite; human metabolite; mouse metabolite; nutraceutical
oleic acid	[no description available]	medium	1	0	octadec-9-enoic acid	antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent
tacrolimus	[no description available]	medium	2	0	macrolide lactam	bacterial metabolite; immunosuppressive agent
cerivastatin	[no description available]	medium	1	0	dihydroxy monocarboxylic acid; pyridines; statin (synthetic)
rosuvastatin	[no description available]	medium	1	0	dihydroxy monocarboxylic acid; monofluorobenzenes; pyrimidines; statin (synthetic); sulfonamide	anti-inflammatory agent; antilipemic drug; cardioprotective agent; CETP inhibitor; environmental contaminant; xenobiotic
eicosapentaenoic acid	[no description available]	medium	1	0	icosapentaenoic acid; omega-3 fatty acid	anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical
mycophenolic acid	[no description available]	medium	1	0	2-benzofurans; gamma-lactone; monocarboxylic acid; phenols	anticoronaviral agent; antimicrobial agent; antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; environmental contaminant; immunosuppressive agent; mycotoxin; Penicillium metabolite; xenobiotic
clindamycin	[no description available]	medium	6	0
fosfomycin	[no description available]	medium	1	0	epoxide; phosphonic acids	antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor
zithromax	[no description available]	medium	8	0	macrolide antibiotic	antibacterial drug; environmental contaminant; xenobiotic
drf 2725	[no description available]	medium	1	0
alitretinoin	[no description available]	medium	1	0	retinoic acid	antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist
decitabine	[no description available]	medium	2	0	2'-deoxyribonucleoside
teniposide	[no description available]	medium	2	0	aromatic ether; beta-D-glucoside; cyclic acetal; furonaphthodioxole; gamma-lactone; monosaccharide derivative; phenols; thiophenes	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
dactinomycin	[no description available]	medium	1	0	actinomycin	mutagen
tiazofurin	[no description available]	medium	1	0	1,3-thiazoles; C-glycosyl compound; monocarboxylic acid amide	antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; prodrug
melphalan	[no description available]	medium	3	0	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
tenofovir	[no description available]	medium	1	0	nucleoside analogue; phosphonic acids	antiviral drug; drug metabolite; HIV-1 reverse transcriptase inhibitor
rubitecan	[no description available]	medium	2	0	C-nitro compound; delta-lactone; pyranoindolizinoquinoline; semisynthetic derivative; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug
micafungin	[no description available]	medium	1	0	antibiotic antifungal drug; echinocandin	antiinfective agent
riboflavin	[no description available]	medium	2	0	flavin; vitamin B2	anti-inflammatory agent; antioxidant; cofactor; Escherichia coli metabolite; food colouring; fundamental metabolite; human urinary metabolite; mouse metabolite; photosensitizing agent; plant metabolite
sodium bicarbonate	[no description available]	medium	1	0	one-carbon compound; organic sodium salt	antacid; food anticaking agent
sodium acetate, anhydrous	[no description available]	medium	1	0	organic sodium salt	NMR chemical shift reference compound
sodium benzoate	[no description available]	medium	1	0	organic sodium salt	algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite
dipyrone	[no description available]	medium	1	0	organic sodium salt	anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug
ditiocarb sodium	[no description available]	medium	1	0	organic molecular entity
carbenoxolone	[no description available]	medium	1	0
discodermolide	[no description available]	medium	1	0	diterpenoid
cannabidiol	[no description available]	medium	1	0	olefinic compound; phytocannabinoid; resorcinols	antimicrobial agent; plant metabolite
propylthiouracil	[no description available]	medium	2	0	pyrimidinethione	antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist
prothionamide	[no description available]	medium	1	0	pyridines
etomidate	[no description available]	medium	2	0	ethyl ester; imidazoles	intravenous anaesthetic; sedative
mercaptopurine	[no description available]	medium	4	0	aryl thiol; purines; thiocarbonyl compound	anticoronaviral agent; antimetabolite; antineoplastic agent
methimazole	[no description available]	medium	2	0	1,3-dihydroimidazole-2-thiones	antithyroid drug
sulindac	[no description available]	medium	3	0	monocarboxylic acid; organofluorine compound; sulfoxide	analgesic; antineoplastic agent; antipyretic; apoptosis inducer; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug; tocolytic agent
capsaicin	[no description available]	medium	1	0	capsaicinoid	non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker
terbinafine	[no description available]	medium	7	0	acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine	EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor
terbinafine	[no description available]	medium	7	3	acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine	EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor
thioguanine anhydrous	[no description available]	medium	1	0	2-aminopurines	anticoronaviral agent; antimetabolite; antineoplastic agent
tacrine hydrochloride	[no description available]	medium	1	0
sodium propionate	[no description available]	medium	1	0	organic sodium salt	antifungal drug; food preservative
digoxin	[no description available]	medium	2	0	cardenolide glycoside; steroid saponin	anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope
streptozocin	[no description available]	medium	1	0
tamoxifen	[no description available]	medium	3	0	stilbenoid; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator
ethionamide	[no description available]	medium	1	0	pyridines; thiocarboxamide	antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug
fusidic acid	[no description available]	medium	2	0	11alpha-hydroxy steroid; 3alpha-hydroxy steroid; alpha,beta-unsaturated monocarboxylic acid; steroid acid; steroid antibiotic; sterol ester	EC 2.7.1.33 (pantothenate kinase) inhibitor; Escherichia coli metabolite; protein synthesis inhibitor
estrone sulfate	[no description available]	medium	1	0	17-oxo steroid; steroid sulfate	human metabolite; mouse metabolite
hmr 3647	[no description available]	medium	2	0
toremifene	[no description available]	medium	2	0	aromatic ether; organochlorine compound; tertiary amine	antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator
telaprevir	[no description available]	medium	1	0	cyclopentapyrrole; cyclopropanes; oligopeptide; pyrazines	antiviral drug; hepatitis C protease inhibitor; peptidomimetic
droloxifene	[no description available]	medium	1	0	stilbenoid
or 1259	[no description available]	medium	1	0	hydrazone; nitrile; pyridazinone	anti-arrhythmia drug; cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; vasodilator agent
gestodene	[no description available]	medium	2	0	steroid	estrogen
orlistat	[no description available]	medium	2	0	beta-lactone; carboxylic ester; formamides; L-leucine derivative	anti-obesity agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor
idoxifene	[no description available]	medium	1	0	stilbenoid
zd 6474	[no description available]	medium	1	0	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor
silybin	[no description available]	medium	1	0
chloramine-t	[no description available]	medium	1	0	organic sodium salt	allergen; antifouling biocide; disinfectant
flosequinan	[no description available]	medium	1	0	quinolines
tolcapone	[no description available]	medium	3	0	2-nitrophenols; benzophenones; catechols	antiparkinson drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
dinoprostone	[no description available]	medium	2	0	prostaglandins E	human metabolite; mouse metabolite; oxytocic
dinoprost	[no description available]	medium	2	0	monocarboxylic acid; prostaglandins Falpha	human metabolite; mouse metabolite
calcitriol	[no description available]	medium	3	0	D3 vitamins; hydroxycalciol; triol	antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical
beta carotene	[no description available]	medium	2	0	carotenoid beta-end derivative; cyclic carotene	antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A
alprostadil	[no description available]	medium	2	0	prostaglandins E	anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent
cholecalciferol	[no description available]	medium	1	0	D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone	geroprotector; human metabolite
amphotericin b	[no description available]	medium	1	0	antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic	antiamoebic agent; antiprotozoal drug; bacterial metabolite
clavulanic acid	[no description available]	medium	4	0	oxapenam	antibacterial drug; anxiolytic drug; bacterial metabolite; EC 3.5.2.6 (beta-lactamase) inhibitor
pulmicort	[no description available]	medium	2	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic acetal; glucocorticoid; primary alpha-hydroxy ketone	anti-inflammatory drug; bronchodilator agent; drug allergen
oxymetholone	[no description available]	medium	2	0
montelukast	[no description available]	medium	1	0	aliphatic sulfide; monocarboxylic acid; quinolines	anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist
mycophenolate mofetil	[no description available]	medium	2	0	carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound	anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug
entacapone	[no description available]	medium	2	0	2-nitrophenols; catechols; monocarboxylic acid amide; nitrile	antidyskinesia agent; antiparkinson drug; central nervous system drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
astaxanthine	[no description available]	medium	1	0	carotenol; carotenone	animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite
diosmin	[no description available]	medium	1	0	dihydroxyflavanone; disaccharide derivative; glycosyloxyflavone; monomethoxyflavone; rutinoside	anti-inflammatory agent; antioxidant
cynarine	[no description available]	medium	1	0	alkyl caffeate ester; quinic acid	plant metabolite
sdz psc 833	[no description available]	medium	1	0	homodetic cyclic peptide
coenzyme q10	[no description available]	medium	1	0	ubiquinones	antioxidant; ferroptosis inhibitor; human metabolite
tranilast	[no description available]	medium	2	0	amidobenzoic acid; cinnamamides; dimethoxybenzene; secondary carboxamide	anti-allergic agent; anti-asthmatic drug; antineoplastic agent; aryl hydrocarbon receptor agonist; calcium channel blocker; hepatoprotective agent; nephroprotective agent
etretinate	[no description available]	medium	4	0	enoate ester; ethyl ester; retinoid	keratolytic drug
isotretinoin	[no description available]	medium	2	0	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent
misoprostol	[no description available]	medium	2	0
ozagrel	[no description available]	medium	1	0	cinnamic acids
pitavastatin	[no description available]	medium	1	0	cyclopropanes; dihydroxy monocarboxylic acid; monofluorobenzenes; quinolines; statin (synthetic)	antioxidant
alatrofloxacin mesylate	[no description available]	medium	1	0
cyclosporine	[no description available]	medium	2	0	homodetic cyclic peptide	anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite
natamycin	[no description available]	medium	3	0	antibiotic antifungal drug; dicarboxylic acid monoester; epoxide; macrolide antibiotic; monosaccharide derivative; polyene antibiotic	antifungal agrochemical; antimicrobial food preservative; apoptosis inducer; bacterial metabolite; ophthalmology drug
acitretin	[no description available]	medium	2	0	acitretin; alpha,beta-unsaturated monocarboxylic acid; retinoid	keratolytic drug
dothiepin	[no description available]	medium	1	0	dothiepin
levetiracetam	[no description available]	medium	3	0	pyrrolidin-2-ones	anticonvulsant; environmental contaminant; xenobiotic
nalorphine	[no description available]	medium	1	0	morphinane alkaloid
naloxone	[no description available]	medium	3	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
oxymorphone	[no description available]	medium	2	0	morphinane alkaloid
sirolimus	[no description available]	medium	1	0	antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol	antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor
topiramate	[no description available]	medium	2	0	cyclic ketal; ketohexose derivative; sulfamate ester	anticonvulsant; sodium channel blocker
alvocidib	[no description available]	medium	1	0	dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound	antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
seocalcitol	[no description available]	medium	1	0
fenretinide	[no description available]	medium	1	0	monocarboxylic acid amide; retinoid	antineoplastic agent; antioxidant
geldanamycin	[no description available]	medium	1	0	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound	antimicrobial agent; antineoplastic agent; antiviral agent; cysteine protease inhibitor; Hsp90 inhibitor
morphine	[no description available]	medium	1	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound	anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic
demycarosylturimycin h	[no description available]	medium	2	0
iloprost	[no description available]	medium	1	0	carbobicyclic compound; monocarboxylic acid; secondary alcohol	platelet aggregation inhibitor; vasodilator agent
vinorelbine	[no description available]	medium	1	0	acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; ring assembly; vinca alkaloid	antineoplastic agent; photosensitizing agent
furazolidone	[no description available]	medium	1	0
fluvoxamine	[no description available]	medium	3	0	(trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime	antidepressant; anxiolytic drug; serotonin uptake inhibitor
fluvoxamine	[no description available]	medium	3	1	(trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime	antidepressant; anxiolytic drug; serotonin uptake inhibitor
semaxinib	[no description available]	medium	1	0	olefinic compound; oxindoles; pyrroles	angiogenesis modulating agent; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist
orantinib	[no description available]	medium	1	0
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid	[no description available]	medium	2	0	dihydroxy monocarboxylic acid; indoles; organofluorine compound
molsidomine	[no description available]	medium	2	0	ethyl ester; morpholines; oxadiazole; zwitterion	antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent
naltrexone	[no description available]	medium	1	0	cyclopropanes; morphinane-like compound; organic heteropentacyclic compound	antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic
dextromethorphan	[no description available]	medium	1	0	6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene	antitussive; environmental contaminant; neurotoxin; NMDA receptor antagonist; oneirogen; prodrug; xenobiotic
cefixime	[no description available]	medium	3	0	cephalosporin	antibacterial drug; drug allergen
lisinopril	[no description available]	medium	2	0	dipeptide	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
ramipril	[no description available]	medium	2	0	azabicycloalkane; cyclopentapyrrole; dicarboxylic acid monoester; dipeptide; ethyl ester	bradykinin receptor B2 agonist; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; matrix metalloproteinase inhibitor; prodrug
indinavir sulfate	[no description available]	medium	2	0	dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide	HIV protease inhibitor
enalapril	[no description available]	medium	1	0	dicarboxylic acid monoester; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug
bleomycin	[no description available]	medium	1	0	bleomycin	antineoplastic agent; metabolite
enalaprilat anhydrous	[no description available]	medium	2	0	dicarboxylic acid; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
imidapril	[no description available]	medium	1	0	dicarboxylic acid monoester; dipeptide; ethyl ester; imidazolidines; N-acylurea; secondary amino compound	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
sulindac sulfone	[no description available]	medium	1	0	monocarboxylic acid; organofluorine compound; sulfone	apoptosis inducer; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
ximelagatran	[no description available]	medium	1	0	amidoxime; azetidines; carboxamide; ethyl ester; hydroxylamines; secondary amino compound; secondary carboxamide; tertiary carboxamide	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; prodrug; serine protease inhibitor
ceftriaxone	[no description available]	medium	2	0	1,2,4-triazines; 1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; drug allergen; EC 3.5.2.6 (beta-lactamase) inhibitor
trandolapril	[no description available]	medium	3	0	dicarboxylic acid monoester; dipeptide; ethyl ester; organic heterobicyclic compound; secondary amino compound; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
guanabenz acetate	[no description available]	medium	1	0	dichlorobenzene	geroprotector
famotidine	[no description available]	medium	2	0	1,3-thiazoles; guanidines; sulfonamide	anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
cefotaxime	[no description available]	medium	4	0	1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; drug allergen
aztreonam	[no description available]	medium	1	0	beta-lactam antibiotic allergen; monobactam	antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
proguanil	[no description available]	medium	1	0	biguanides; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
rifamycin sv	[no description available]	medium	2	0	acetate ester; cyclic ketal; lactam; macrocycle; organic heterotetracyclic compound; polyphenol; rifamycins	antimicrobial agent; antitubercular agent; bacterial metabolite
epoprostenol sodium	[no description available]	medium	1	0	prostanoid
ixabepilone	[no description available]	medium	1	0	1,3-thiazoles; beta-hydroxy ketone; epoxide; lactam; macrocycle	antineoplastic agent; microtubule-destabilising agent
azlocillin	[no description available]	medium	1	0	penicillin allergen; penicillin; semisynthetic derivative	antibacterial drug
dantrolene sodium	[no description available]	medium	1	0
nitrofurantoin	[no description available]	medium	9	0	imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent
nitrofurantoin	[no description available]	medium	9	2	imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent
nifurtimox	[no description available]	medium	1	0	nitrofuran antibiotic
roxithromycin	[no description available]	medium	2	0	roxithromycin	environmental contaminant; xenobiotic
beraprost	[no description available]	medium	1	0	enyne; monocarboxylic acid; organic heterotricyclic compound; secondary alcohol; secondary allylic alcohol	anti-inflammatory agent; antihypertensive agent; platelet aggregation inhibitor; prostaglandin receptor agonist; vasodilator agent
lanreotide	[no description available]	medium	1	0
lu 208075	[no description available]	medium	1	0	diarylmethane
acetylcarnitine	[no description available]	medium	1	0	O-acetylcarnitine; saturated fatty acyl-L-carnitine	human metabolite; Saccharomyces cerevisiae metabolite
nifurtoinol	[no description available]	medium	1	0	hydrazone; imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent
fosinopril	[no description available]	medium	2	0
eflucimibe	[no description available]	medium	1	0
etomoxir	[no description available]	medium	1	0	aromatic ether
pentagastrin	[no description available]	medium	1	0	organic molecular entity
gentamicin sulfate	[no description available]	medium	1	0
azd 6244	[no description available]	medium	1	0	benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
vinflunine	[no description available]	medium	1	0	acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; semisynthetic derivative; vinca alkaloid	antineoplastic agent
baci-im	[no description available]	medium	1	0	homodetic cyclic peptide; polypeptide; zwitterion	antibacterial agent; antimicrobial agent
pf 03491390	[no description available]	medium	1	0
amodiaquine hydrochloride	[no description available]	medium	2	0
tannins	[no description available]	medium	1	0	tannin
mesna	[no description available]	medium	2	0	organosulfonic acid
cerivastatin sodium	[no description available]	medium	1	0	organic sodium salt; statin (synthetic)
monensin	[no description available]	medium	1	0
oxacillin sodium	[no description available]	medium	2	0	organic sodium salt
sodium diatrizoate	[no description available]	medium	1	0	organic sodium salt; organoiodine compound	radioopaque medium
ascorbic acid	[no description available]	medium	2	0	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
ascorbic acid	[no description available]	medium	2	1	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
novobiocin	[no description available]	high	2	0	carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols	antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent
tetracycline	[no description available]	medium	27	0
chlortetracycline	[no description available]	medium	7	0
oxytetracycline, anhydrous	[no description available]	medium	44	0
oxytetracycline, anhydrous	[no description available]	medium	44	3
minocycline	[no description available]	medium	2	0
minocycline	[no description available]	medium	2	1
dicumarol	[no description available]	medium	1	0	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; Hsp90 inhibitor; vitamin K antagonist
piroxicam	[no description available]	high	3	0	benzothiazine; monocarboxylic acid amide; pyridines	analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
acenocoumarol	[no description available]	medium	1	0	C-nitro compound; hydroxycoumarin; methyl ketone	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
mobic	[no description available]	high	4	0	1,3-thiazoles; benzothiazine; monocarboxylic acid amide	analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
mobiflex	[no description available]	medium	2	0	heteroaryl hydroxy compound; monocarboxylic acid amide; pyridines; thienothiazine	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
warfarin	[no description available]	medium	2	0	benzenes; hydroxycoumarin; methyl ketone
phenprocoumon	[no description available]	medium	2	0	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
rolitetracycline	[no description available]	medium	1	0
lornoxicam	[no description available]	medium	2	0	heteroaryl hydroxy compound; monocarboxylic acid amide; organochlorine compound; pyridines; thienothiazine	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
ajmaline	[no description available]	medium	1	0
entecavir	[no description available]	medium	2	0	2-aminopurines; oxopurine; primary alcohol; secondary alcohol	antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
acyclovir	[no description available]	medium	2	0	2-aminopurines; oxopurine	antimetabolite; antiviral drug
inosine	[no description available]	medium	1	0	inosines; purines D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
folic acid	[no description available]	medium	2	0	folic acids; N-acyl-amino acid	human metabolite; mouse metabolite; nutrient
rifampin	[no description available]	medium	11	0	cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion	angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor
dacarbazine	[no description available]	medium	3	0	dacarbazine
didanosine	[no description available]	medium	2	0	purine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor; geroprotector; HIV-1 reverse transcriptase inhibitor
ganciclovir	[no description available]	medium	2	0	2-aminopurines; oxopurine	antiinfective agent; antiviral drug
sildenafil	[no description available]	medium	1	0	piperazines; pyrazolopyrimidine; sulfonamide	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
olanzapine	[no description available]	medium	3	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine	antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor
penciclovir	[no description available]	medium	1	0	2-aminopurines; propane-1,3-diols	antiviral drug
oxypurinol	[no description available]	medium	1	0	pyrazolopyrimidine	drug metabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor
raltitrexed	[no description available]	medium	2	0	N-acyl-amino acid
leucovorin	[no description available]	medium	1	0	formyltetrahydrofolic acid	Escherichia coli metabolite; mouse metabolite
alanosine	[no description available]	medium	1	0
tirapazamine	[no description available]	medium	1	0	aromatic amine; benzotriazines; N-oxide	antibacterial agent; antineoplastic agent; apoptosis inducer
rifabutin	[no description available]	medium	2	0
benzyl alcohol	[no description available]	medium	1	0	benzyl alcohols	antioxidant; fragrance; metabolite; solvent
alpha-glycerophosphoric acid	[no description available]	medium	1	0	glycerol monophosphate	algal metabolite; human metabolite
histamine	[no description available]	medium	1	0	aralkylamino compound; imidazoles	human metabolite; mouse metabolite; neurotransmitter
succinic acid	[no description available]	medium	1	0	alpha,omega-dicarboxylic acid; C4-dicarboxylic acid	anti-ulcer drug; fundamental metabolite; micronutrient; nutraceutical; radiation protective agent
methacholine	[no description available]	medium	1	0	acetate ester; quaternary ammonium ion	bronchoconstrictor agent; cholinergic agonist; epitope; muscarinic agonist; vasodilator agent
antazoline	[no description available]	medium	1	0	aromatic amine; imidazolines; tertiary amino compound	cholinergic antagonist; H1-receptor antagonist; xenobiotic
bendroflumethiazide	[no description available]	medium	1	0	benzothiadiazine; sulfonamide	antihypertensive agent; diuretic
benzamide	[no description available]	medium	2	0	benzamides
benzquinamide	[no description available]	medium	1	0	monocarboxylic acid amide	antiemetic; antipsychotic agent; H1-receptor antagonist; muscarinic antagonist; sedative
bepridil	[no description available]	medium	1	0	pyrrolidines; tertiary amine	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
bethanidine	[no description available]	medium	1	0	guanidines	adrenergic antagonist; antihypertensive agent
betaxolol	[no description available]	medium	1	0	propanolamine	antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
bisacodyl	[no description available]	medium	2	0	diarylmethane
bromhexine	[no description available]	medium	2	0	organobromine compound; substituted aniline; tertiary amino compound	mucolytic
bromhexine	[no description available]	medium	2	1	organobromine compound; substituted aniline; tertiary amino compound	mucolytic
bunitrolol	[no description available]	medium	1	0	aromatic ether
bupranolol	[no description available]	medium	1	0	aromatic ether
metrizoate	[no description available]	medium	1	0	monocarboxylic acid	radioopaque medium
carbazochrome	[no description available]	medium	1	0
carbinoxamine	[no description available]	medium	1	0	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist
chlorcyclizine	[no description available]	medium	1	0	diarylmethane
chlorothiazide	[no description available]	medium	1	0	benzothiadiazine	antihypertensive agent; diuretic
chloroxine	[no description available]	medium	1	0	monohydroxyquinoline; organochlorine compound	antibacterial agent; antifungal drug; antiseborrheic
clomipramine	[no description available]	medium	2	0	dibenzoazepine	anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor
cyclofenil	[no description available]	medium	1	0	organic molecular entity
debrisoquin	[no description available]	medium	1	0	carboxamidine; isoquinolines	adrenergic agent; antihypertensive agent; human metabolite; sympatholytic agent
dichlorphenamide	[no description available]	medium	1	0	dichlorobenzene; sulfonamide	antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor; ophthalmology drug
diphenidol	[no description available]	medium	1	0	benzenes; piperidines; tertiary alcohol	antiemetic
doxylamine	[no description available]	medium	1	0	pyridines; tertiary amine	anti-allergic agent; antiemetic; antitussive; cholinergic antagonist; H1-receptor antagonist; histamine antagonist; sedative
dyphylline	[no description available]	medium	1	0	oxopurine; propane-1,2-diols	bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; muscle relaxant; vasodilator agent
profenamine	[no description available]	medium	1	0	phenothiazines; tertiary amino compound	adrenergic antagonist; antidyskinesia agent; antiparkinson drug; histamine antagonist; muscarinic antagonist
ethyl loflazepate	[no description available]	medium	1	0	organic molecular entity
etizolam	[no description available]	medium	1	0	organic molecular entity
fenfluramine	[no description available]	medium	1	0	(trifluoromethyl)benzenes; secondary amino compound	appetite depressant; serotonergic agonist; serotonin uptake inhibitor
fenoprofen	[no description available]	medium	1	0	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug
berotek	[no description available]	medium	1	0	resorcinols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent
flavoxate	[no description available]	medium	1	0	carboxylic ester; flavones; piperidines; tertiary amino compound	antispasmodic drug; muscarinic antagonist; parasympatholytic
fluphenazine depot	[no description available]	medium	1	0	decanoate ester; N-alkylpiperazine; organofluorine compound; phenothiazines	dopaminergic antagonist; phenothiazine antipsychotic drug; prodrug
fluphenazine enanthate	[no description available]	medium	1	0	phenothiazines
flurazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; monofluorobenzenes; organochlorine compound; tertiary amino compound	anticonvulsant; anxiolytic drug; GABAA receptor agonist; sedative
flutazolam	[no description available]	medium	1	0	hemiaminal ether; organic molecular entity
guanethidine	[no description available]	medium	1	0	azocanes; guanidines	adrenergic antagonist; antihypertensive agent; sympatholytic agent
hexylresorcinol	[no description available]	medium	1	0	resorcinols
homochlorocyclizine	[no description available]	medium	1	0	diarylmethane
hydroflumethiazide	[no description available]	medium	2	0	benzothiadiazine; thiazide	antihypertensive agent; diuretic
iodamide	[no description available]	medium	1	0	benzoic acids; organoiodine compound	radioopaque medium
iothalamic acid	[no description available]	medium	1	0	organic molecular entity
isopropamide iodide	[no description available]	medium	1	0	diarylmethane
ketotifen	[no description available]	medium	1	0	cyclic ketone; olefinic compound; organic heterotricyclic compound; organosulfur heterocyclic compound; piperidines; tertiary amino compound	anti-asthmatic drug; H1-receptor antagonist
loxapine	[no description available]	medium	1	0	dibenzooxazepine	antipsychotic agent; dopaminergic antagonist
maprotiline	[no description available]	medium	2	0	anthracenes
memantine	[no description available]	medium	1	0	adamantanes; primary aliphatic amine	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist
mesoridazine	[no description available]	medium	1	0	phenothiazines; sulfoxide; tertiary amino compound	dopaminergic antagonist; first generation antipsychotic
methapyrilene	[no description available]	medium	1	0	ethylenediamine derivative	anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative
methocarbamol	[no description available]	medium	1	0	aromatic ether; carbamate ester; secondary alcohol
nimetazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; C-nitro compound	anticonvulsant; antispasmodic drug; GABA modulator; sedative
nomifensine	[no description available]	medium	1	0	isoquinolines	dopamine uptake inhibitor
ofloxacin	[no description available]	medium	7	0	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
oxolinic acid	[no description available]	high	8	0	aromatic carboxylic acid; organic heterotricyclic compound; oxacycle; quinolinemonocarboxylic acid; quinolone antibiotic	antibacterial drug; antifungal agent; antiinfective agent; antimicrobial agent; enzyme inhibitor
pargyline	[no description available]	medium	1	0	aromatic amine
perhexiline	[no description available]	medium	2	0	piperidines	cardiovascular drug
phenacemide	[no description available]	medium	1	0	acetamides
phenazopyridine	[no description available]	medium	1	0	diaminopyridine; monoazo compound	anticoronaviral agent; carcinogenic agent; local anaesthetic; non-narcotic analgesic
phenindione	[no description available]	medium	2	0	aromatic ketone; beta-diketone	anticoagulant
phenindione	[no description available]	medium	2	1	aromatic ketone; beta-diketone	anticoagulant
pheniramine	[no description available]	medium	1	0	pyridines; tertiary amino compound
phentermine	[no description available]	medium	1	0	primary amine	adrenergic agent; appetite depressant; central nervous system drug; central nervous system stimulant; dopaminergic agent; sympathomimetic agent
pindolol	[no description available]	medium	2	0	indoles; secondary amine	antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent
pyranoprofen	[no description available]	medium	2	0	pyridochromene
proglumide	[no description available]	medium	1	0	benzamides; dicarboxylic acid monoamide; glutamine derivative; racemate	anti-ulcer drug; cholecystokinin antagonist; cholinergic antagonist; delta-opioid receptor agonist; drug metabolite; gastrointestinal drug; opioid analgesic; xenobiotic metabolite
promazine	[no description available]	medium	1	0	phenothiazines; tertiary amine	antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; serotonergic antagonist
propiomazine	[no description available]	medium	1	0	aromatic ketone; phenothiazines; tertiary amino compound	dopaminergic antagonist; histamine antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; sedative; serotonergic antagonist
protriptyline	[no description available]	medium	1	0	carbotricyclic compound	antidepressant
proxyphylline	[no description available]	medium	1	0	oxopurine
rizatriptan	[no description available]	medium	1	0	tryptamines	anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
salicylsalicylic acid	[no description available]	medium	1	0	benzoate ester; benzoic acids; phenols; salicylates	antineoplastic agent; antirheumatic drug; EC 3.5.2.6 (beta-lactamase) inhibitor; hypoglycemic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
secobarbital	[no description available]	medium	1	0	barbiturates	anaesthesia adjuvant; GABA modulator; sedative
ipodate	[no description available]	medium	1	0
succinylcholine	[no description available]	medium	1	0	quaternary ammonium ion; succinate ester	drug allergen; muscle relaxant; neuromuscular agent
sulfobromophthalein	[no description available]	medium	2	0	2-benzofurans; organobromine compound; organosulfonic acid; phenols	dye
terazosin	[no description available]	medium	2	0	furans; piperazines; primary amino compound; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent
tiaramide	[no description available]	medium	1	0	benzothiazoles
tilorone	[no description available]	medium	2	0	aromatic ether; diether; fluoren-9-ones; tertiary amino compound	anti-inflammatory agent; antineoplastic agent; antiviral agent; interferon inducer; nicotinic acetylcholine receptor agonist
trifluperidol	[no description available]	medium	1	0	aromatic ketone
trimebutine	[no description available]	medium	1	0	trihydroxybenzoic acid
trimipramine	[no description available]	medium	1	0	dibenzoazepine; tertiary amino compound	antidepressant; environmental contaminant; xenobiotic
tripelennamine	[no description available]	medium	1	0	aromatic amine
delavirdine	[no description available]	medium	1	0	aminopyridine; indolecarboxamide; N-acylpiperazine; sulfonamide	antiviral drug; HIV-1 reverse transcriptase inhibitor
lysergic acid diethylamide	[no description available]	medium	1	0	ergoline alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound	dopamine agonist; hallucinogen; serotonergic agonist
norethandrolone	[no description available]	medium	1	0	corticosteroid hormone
desoxycorticosterone acetate	[no description available]	medium	1	0	corticosteroid hormone
lysine	[no description available]	medium	1	0	aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid	algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
cysteamine	[no description available]	medium	1	0	amine; thiol	geroprotector; human metabolite; mouse metabolite; radiation protective agent
bretylium tosylate	[no description available]	medium	1	0	organosulfonate salt; quaternary ammonium salt	adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent
leucine	[no description available]	medium	1	0	amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
gallamine triethiodide	[no description available]	medium	1	0
4-hydroxypropiophenone	[no description available]	medium	1	0	acetophenones
methandrostenolone	[no description available]	medium	1	0	organic molecular entity
quinethazone	[no description available]	medium	1	0	quinazolines	antihypertensive agent; diuretic
tribromoethanol	[no description available]	medium	1	0	alcohol; organobromine compound
mepenzolate bromide	[no description available]	medium	1	0	diarylmethane
carbromal	[no description available]	medium	1	0	N-acylurea
triparanol	[no description available]	medium	1	0	stilbenoid	anticoronaviral agent
pantothenic acid	[no description available]	medium	1	0	pantothenic acid; vitamin B5	antidote to curare poisoning; geroprotector; human blood serum metabolite
cyclizine	[no description available]	medium	1	0	N-alkylpiperazine	antiemetic; central nervous system depressant; cholinergic antagonist; H1-receptor antagonist; local anaesthetic
buclizine	[no description available]	medium	1	0	monochlorobenzenes; N-alkylpiperazine	antiemetic; central nervous system depressant; cholinergic antagonist; histamine antagonist; local anaesthetic
thiopropazate	[no description available]	medium	1	0	acetate ester; N-alkylpiperazine; organochlorine compound; phenothiazines	dopaminergic antagonist; phenothiazine antipsychotic drug
acetrizoic acid	[no description available]	medium	1	0	aminobenzoic acid
penicillin v	[no description available]	medium	2	0	penicillin allergen; penicillin
pseudoephedrine	[no description available]	medium	1	0	phenylethanolamines; secondary alcohol; secondary amino compound	anti-asthmatic drug; bronchodilator agent; central nervous system drug; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
propylparaben	[no description available]	medium	1	0	benzoate ester; paraben; phenols	antifungal agent; antimicrobial agent
methylparaben	[no description available]	medium	1	0	paraben	antifungal agent; antimicrobial food preservative; neuroprotective agent; plant metabolite
estradiol dipropionate	[no description available]	medium	1	0	steroid ester
paramethadione	[no description available]	medium	1	0	oxazolidinone	anticonvulsant
anileridine	[no description available]	medium	1	0	ethyl ester; piperidinecarboxylate ester; substituted aniline	opioid analgesic; opioid receptor agonist
ditiocarb	[no description available]	medium	1	0	dithiocarbamic acids	chelator; copper chelator
sulfalene	[no description available]	medium	1	0	pyrazines; sulfonamide antibiotic; sulfonamide
propantheline bromide	[no description available]	medium	1	0	xanthenes
norchlorcyclizine	[no description available]	medium	1	0
opipramol	[no description available]	medium	1	0	dibenzoazepine
glymidine	[no description available]	medium	1	0	diether; pyrimidines; sulfonamide	hypoglycemic agent
N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine	[no description available]	medium	1	0	aromatic amine
prenylamine	[no description available]	medium	1	0	diarylmethane
nandrolone	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid	human metabolite
thiazolidine-4-carboxylic acid	[no description available]	medium	1	0	alpha-amino acid zwitterion; non-proteinogenic alpha-amino acid; sulfur-containing amino acid; thiazolidinemonocarboxylic acid	antidote; antioxidant; hepatoprotective agent
chlorphentermine	[no description available]	medium	1	0	amphetamines
lucanthone	[no description available]	medium	1	0	thioxanthenes	adjuvant; antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; mutagen; photosensitizing agent; prodrug; schistosomicide drug
dichloralantipyrine	[no description available]	medium	1	0
emetine	[no description available]	medium	3	0	isoquinoline alkaloid; pyridoisoquinoline	antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor
methallenestril	[no description available]	medium	1	0	naphthalenes
androstenediol	[no description available]	medium	1	0	17beta-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid	androgen; human metabolite; mouse metabolite; radiation protective agent
levocarnitine	[no description available]	medium	1	0	carnitine	antilipemic drug; nootropic agent; nutraceutical; Saccharomyces cerevisiae metabolite; water-soluble vitamin (role)
decamethonium dibromide	[no description available]	medium	1	0
thiphenamil	[no description available]	medium	1	0	diarylmethane
metahexamide	[no description available]	medium	1	0	benzenes; sulfonamide
phenindamine	[no description available]	medium	1	0	indene
2-amino-2-methyl-1-propanol	[no description available]	medium	1	0
phendimetrazine	[no description available]	medium	1	0
trimetozine	[no description available]	medium	1	0	morpholines
butaperazine	[no description available]	medium	1	0	phenothiazines
oxolamine	[no description available]	medium	1	0	oxadiazole; ring assembly
ethylestrenol	[no description available]	medium	1	0	17beta-hydroxy steroid; tertiary alcohol	anabolic agent
dehydroepiandrosterone acetate	[no description available]	medium	1	0	steroid ester
metaxalone	[no description available]	medium	1	0	aromatic ether
spectinomycin	[no description available]	high	29	2	cyclic acetal; cyclic hemiketal; cyclic ketone; pyranobenzodioxin; secondary alcohol; secondary amino compound	antibacterial drug; antimicrobial agent; bacterial metabolite
spectinomycin	[no description available]	high	29	0	cyclic acetal; cyclic hemiketal; cyclic ketone; pyranobenzodioxin; secondary alcohol; secondary amino compound	antibacterial drug; antimicrobial agent; bacterial metabolite
paraquat	[no description available]	medium	1	0	organic cation	geroprotector; herbicide
clothiapine	[no description available]	medium	1	0	dibenzothiazepine
azaribine	[no description available]	medium	1	0	acetate ester; N-glycosyl-1,2,4-triazine	antipsoriatic; prodrug
acetophenazine	[no description available]	medium	1	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; phenothiazines	phenothiazine antipsychotic drug
cephaloglycin	[no description available]	medium	1	0	beta-lactam antibiotic allergen; cephalosporin	antimicrobial agent
noxiptilin	[no description available]	medium	1	0	organic tricyclic compound
metocurine	[no description available]	medium	2	0	isoquinolines
clomacran	[no description available]	medium	1	0	acridines
iprindole	[no description available]	medium	1	0	indoles
isometheptene	[no description available]	medium	1	0	secondary amino compound
olsalazine	[no description available]	medium	1	0	azobenzenes; dicarboxylic acid	non-steroidal anti-inflammatory drug; prodrug
molindone	[no description available]	medium	1	0	indoles
hexocyclium	[no description available]	medium	1	0	amine
ancitabine	[no description available]	medium	1	0	diol; organic heterotricyclic compound	antimetabolite; antineoplastic agent; prodrug
clortermine	[no description available]	medium	1	0	amphetamines
nicofuranose	[no description available]	medium	1	0	organooxygen compound
apazone	[no description available]	medium	1	0	benzotriazines	non-steroidal anti-inflammatory drug; uricosuric drug
cloforex	[no description available]	medium	1	0	amphetamines
clobutinol	[no description available]	medium	1	0	benzenes; organic amino compound
razoxane	[no description available]	medium	1	0	N-alkylpiperazine
fludarabine phosphate	[no description available]	medium	2	0	nucleoside analogue; organofluorine compound; purine arabinonucleoside monophosphate	antimetabolite; antineoplastic agent; antiviral agent; DNA synthesis inhibitor; immunosuppressive agent; prodrug
proquazone	[no description available]	medium	1	0	pyrimidines
halazepam	[no description available]	medium	1	0	organic molecular entity
ripazepam	[no description available]	medium	1	0	benzenes
indoramin	[no description available]	medium	2	0	tryptamines
moricizine	[no description available]	medium	1	0	carbamate ester; morpholines; phenothiazines	anti-arrhythmia drug
feprazone	[no description available]	medium	2	0	organic molecular entity
halofantrine	[no description available]	medium	1	0	phenanthrenes
etidocaine	[no description available]	medium	1	0	amino acid amide	local anaesthetic
prenalterol	[no description available]	medium	1	0	aromatic ether
lorcainide	[no description available]	medium	2	0	acetamides
idarubicin	[no description available]	medium	1	0	anthracycline antibiotic; deoxy hexoside; monosaccharide derivative
atracurium	[no description available]	medium	1	0	diester; quaternary ammonium ion	muscle relaxant; nicotinic antagonist
pergolide	[no description available]	medium	1	0	diamine; methyl sulfide; organic heterotetracyclic compound	antiparkinson drug; dopamine agonist
doxofylline	[no description available]	medium	1	0	oxopurine	anti-asthmatic drug; antitussive; bronchodilator agent
alfentanil	[no description available]	medium	1	0	monocarboxylic acid amide; piperidines	central nervous system depressant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; peripheral nervous system drug
esmolol	[no description available]	medium	1	0	aromatic ether; ethanolamines; methyl ester; secondary alcohol; secondary amino compound
tiagabine	[no description available]	medium	1	0	beta-amino acid; piperidinemonocarboxylic acid; tertiary amino compound; thiophenes	anticonvulsant; GABA reuptake inhibitor
ziprasidone	[no description available]	medium	1	0	1,2-benzisothiazole; indolones; organochlorine compound; piperazines	antipsychotic agent; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; psychotropic drug; serotonergic antagonist
ceftezole	[no description available]	medium	1	0	cephalosporin; thiadiazoles
hexestrol bis(diethylaminoethyl ether)	[no description available]	medium	1	0	stilbenoid
disobutamide	[no description available]	medium	1	0	acetamides
dipropylacetamide	[no description available]	medium	1	0	fatty amide	geroprotector; metabolite; teratogenic agent
clociguanil	[no description available]	medium	1	0
lividomycin	[no description available]	medium	1	0	lividomycins	metabolite
gentamicin c1	[no description available]	medium	1	0
2-(4'-methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide	[no description available]	medium	1	0
moexipril	[no description available]	medium	1	0	peptide
sennoside B	[no description available]	medium	1	0	oxo dicarboxylic acid; sennosides
dimethacrine	[no description available]	medium	1	0	acridines
5-hydroxydopamine	[no description available]	medium	1	0	catecholamine
tazobactam	[no description available]	medium	1	0	penicillanic acids; triazoles	antiinfective agent; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor
xylose	[no description available]	medium	1	0	D-xylose
clofibride	[no description available]	medium	1	0	monocarboxylic acid
aminopterin	[no description available]	medium	1	0	dicarboxylic acid	EC 1.5.1.3 (dihydrofolate reductase) inhibitor; mutagen
l 694,458	[no description available]	medium	1	0
carbocysteine	[no description available]	medium	1	0	L-cysteine thioether; non-proteinogenic L-alpha-amino acid	mucolytic
dromostanolone propionate	[no description available]	medium	1	0	3-oxo-5alpha-steroid; steroid ester	antineoplastic agent
phenethicillin	[no description available]	medium	1	0	penicillin allergen; penicillin
bekanamycin	[no description available]	medium	1	0	kanamycins
strychnine	[no description available]	medium	1	0	monoterpenoid indole alkaloid; organic heteroheptacyclic compound	avicide; cholinergic antagonist; glycine receptor antagonist; neurotransmitter agent; rodenticide
hetacillin	[no description available]	medium	1	0	penicillin	antibacterial drug
medigoxin	[no description available]	medium	1	0	cardenolide glycoside
betamethasone acetate	[no description available]	medium	2	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; fluorinated steroid; steroid ester; tertiary alpha-hydroxy ketone
dibekacin	[no description available]	medium	2	0	kanamycins	antibacterial agent; protein synthesis inhibitor
flavin mononucleotide	[no description available]	medium	1	0	flavin mononucleotide; vitamin B2	bacterial metabolite; coenzyme; cofactor; human metabolite; mouse metabolite
mezlocillin	[no description available]	medium	1	0	penicillin allergen; penicillin	antibacterial drug
mitobronitol	[no description available]	medium	1	0	alcohol; organobromine compound
prednisolone hemisuccinate	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; hemisuccinate; tertiary alpha-hydroxy ketone	anti-inflammatory drug
octotropine methylbromide	[no description available]	medium	1	0
nsc 4347	[no description available]	medium	1	0
lobeline	[no description available]	medium	1	0
thiothixene	[no description available]	medium	1	0	N-methylpiperazine	anticoronaviral agent
benztropine	[no description available]	medium	1	0	diarylmethane
thiouracil	[no description available]	medium	1	0	nucleobase analogue; thiocarbonyl compound	antithyroid drug; metabolite
1,4-benzoquinone guanylhydrazone thiosemicarbazone	[no description available]	medium	1	0
zeranol	[no description available]	medium	1	0	macrolide
thiopental	[no description available]	medium	2	0	barbiturates	anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic
albutoin	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
iodothiouracil	[no description available]	medium	1	0	organohalogen compound; pyrimidines
bilirubin	[no description available]	medium	2	0	biladienes; dicarboxylic acid	antioxidant; human metabolite; mouse metabolite
eprosartan	[no description available]	medium	2	0	dicarboxylic acid; imidazoles; thiophenes	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
ethchlorvynol	[no description available]	medium	1	0
rokitamycin	[no description available]	medium	1	0	organic molecular entity
epoprostenol	[no description available]	medium	1	0	prostaglandins I	mouse metabolite
triprolidine	[no description available]	medium	1	0	N-alkylpyrrolidine; olefinic compound; pyridines	H1-receptor antagonist
cloprednol	[no description available]	medium	1	0	21-hydroxy steroid
cyproterone	[no description available]	medium	1	0	17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; chlorinated steroid; tertiary alpha-hydroxy ketone	androgen antagonist
estropipate	[no description available]	medium	1	0	piperazinium salt; steroid sulfate
hydroxystilbamidine	[no description available]	medium	1	0
meprednisone	[no description available]	medium	1	0	21-hydroxy steroid
acepreval	[no description available]	medium	1	0	corticosteroid hormone
proscillaridin	[no description available]	medium	1	0	organic molecular entity
stilbamidine	[no description available]	medium	1	0
butorphanol	[no description available]	medium	2	0	morphinane alkaloid	antitussive; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
zimeldine	[no description available]	medium	1	0	styrenes
ceftazidime	[no description available]	medium	1	0	cephalosporin; oxime O-ether	antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
abt-770	[no description available]	medium	1	0
9-n-(1-propyl)erythromyclamine	[no description available]	medium	1	0
azacosterol	[no description available]	medium	1	0
homatropine methylbromide	[no description available]	medium	1	0
vindesine	[no description available]	medium	1	0
bephenium hydroxynaphthoate	[no description available]	medium	1	0
viomycin	[no description available]	medium	1	0	heterodetic cyclic peptide; peptide antibiotic	antitubercular agent
melatonin	[no description available]	medium	1	0	acetamides; tryptamines	anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger
1-(3-chlorophenyl)piperazine	[no description available]	medium	1	0	monochlorobenzenes; N-arylpiperazine	drug metabolite; environmental contaminant; serotonergic agonist; xenobiotic
tacrine	[no description available]	medium	1	0	acridines; aromatic amine	EC 3.1.1.7 (acetylcholinesterase) inhibitor
diatrizoic acid	[no description available]	medium	1	0	acetamides; benzoic acids; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic
dan 2163	[no description available]	medium	1	0	aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone	environmental contaminant; second generation antipsychotic; xenobiotic
amlexanox	[no description available]	medium	1	0	monocarboxylic acid; pyridochromene	anti-allergic agent; anti-ulcer drug; non-steroidal anti-inflammatory drug
amoxapine	[no description available]	medium	1	0	dibenzooxazepine	adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor
astemizole	[no description available]	medium	1	0	benzimidazoles; piperidines	anti-allergic agent; anticoronaviral agent; H1-receptor antagonist
benzocaine	[no description available]	medium	1	0	benzoate ester; substituted aniline	allergen; antipruritic drug; sensitiser; topical anaesthetic
bromopride	[no description available]	medium	1	0	benzamides
bronopol	[no description available]	medium	1	0	nitro compound
cifenline	[no description available]	medium	1	0	diarylmethane
ciclopirox	[no description available]	medium	1	0	cyclic hydroxamic acid; hydroxypyridone antifungal drug; pyridone	antibacterial agent; antiseborrheic
ciglitazone	[no description available]	medium	1	0	aromatic ether; thiazolidinone	antineoplastic agent; insulin-sensitizing drug
cilostazol	[no description available]	medium	1	0	lactam; tetrazoles	anticoagulant; bronchodilator agent; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; fibrin modulating drug; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent
4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamide	[no description available]	medium	1	0	sulfonamide
domperidone	[no description available]	medium	1	0	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
donepezil	[no description available]	medium	1	0	aromatic ether; indanones; piperidines; racemate	EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent
ebastine	[no description available]	medium	1	0	organic molecular entity
ethosuximide	[no description available]	medium	1	0	dicarboximide; pyrrolidinone	anticonvulsant; geroprotector; T-type calcium channel blocker
4-biphenylylacetic acid	[no description available]	medium	1	0	biphenyls; monocarboxylic acid	non-steroidal anti-inflammatory drug
fleroxacin	[no description available]	medium	1	0	difluorobenzene; fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; quinolines	antibacterial drug; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor
fluorescite	[no description available]	medium	1	0	benzoic acids; cyclic ketone; hydroxy monocarboxylic acid; organic heterotricyclic compound; phenols; xanthene dye	fluorescent dye; radioopaque medium
glimepiride	[no description available]	medium	1	0	sulfonamide
glipizide	[no description available]	medium	1	0	aromatic amide; monocarboxylic acid amide; N-sulfonylurea; pyrazines	EC 2.7.1.33 (pantothenate kinase) inhibitor; hypoglycemic agent; insulin secretagogue
guanfacine	[no description available]	medium	1	0	acetamides
letrozole	[no description available]	medium	1	0	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
moclobemide	[no description available]	medium	1	0	benzamides; monochlorobenzenes; morpholines	antidepressant; environmental contaminant; xenobiotic
acecainide	[no description available]	medium	1	0	acetamides; benzamides	anti-arrhythmia drug
nadolol	[no description available]	medium	1	0	tetralins
nefopam	[no description available]	medium	1	0	benzoxazocine; tertiary amino compound
neostigmine	[no description available]	medium	1	0	quaternary ammonium ion	antidote to curare poisoning; EC 3.1.1.7 (acetylcholinesterase) inhibitor
nicardipine	[no description available]	medium	1	0	benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound
oxybutynin	[no description available]	medium	1	0	acetylenic compound; carboxylic ester; racemate; tertiary alcohol; tertiary amino compound	antispasmodic drug; calcium channel blocker; local anaesthetic; muscarinic antagonist; muscle relaxant; parasympatholytic
papaverine	[no description available]	medium	1	0	benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines	antispasmodic drug; vasodilator agent
pentamidine	[no description available]	medium	2	0	aromatic ether; carboxamidine; diether	anti-inflammatory agent; antifungal agent; calmodulin antagonist; chemokine receptor 5 antagonist; EC 2.3.1.48 (histone acetyltransferase) inhibitor; NMDA receptor antagonist; S100 calcium-binding protein B inhibitor; trypanocidal drug; xenobiotic
pioglitazone	[no description available]	medium	1	0	aromatic ether; pyridines; thiazolidinediones	antidepressant; cardioprotective agent; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; geroprotector; hypoglycemic agent; insulin-sensitizing drug; PPARgamma agonist; xenobiotic
piracetam	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
piribedil	[no description available]	medium	1	0	N-arylpiperazine
ono 1078	[no description available]	medium	1	0	chromones
procyclidine	[no description available]	medium	1	0	pyrrolidines; tertiary alcohol	antidyskinesia agent; antiparkinson drug; muscarinic antagonist
imatinib	[no description available]	medium	1	0	aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines	antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
sulfanitran	[no description available]	medium	1	0	sulfonamide
sulfisoxazole	[no description available]	medium	4	0	isoxazoles; sulfonamide antibiotic; sulfonamide	antibacterial drug; drug allergen
sulfisoxazole	[no description available]	medium	4	1	isoxazoles; sulfonamide antibiotic; sulfonamide	antibacterial drug; drug allergen
tazarotene	[no description available]	medium	1	0	acetylenic compound; ethyl ester; pyridines; retinoid; thiochromane	keratolytic drug; prodrug; teratogenic agent
thiotepa	[no description available]	medium	1	0	aziridines
tinidazole	[no description available]	medium	1	0	imidazoles	antiamoebic agent; antibacterial drug; antiparasitic agent; antiprotozoal drug
nikethamide	[no description available]	medium	1	0	pyridinecarboxamide
thenoyltrifluoroacetone	[no description available]	medium	1	0
undecylenic acid	[no description available]	medium	1	0	undecenoic acid	antifungal drug; plant metabolite
urapidil	[no description available]	medium	1	0	piperazines
pirinixic acid	[no description available]	medium	1	0	aryl sulfide; organochlorine compound; pyrimidines
zaleplon	[no description available]	medium	1	0	nitrile; pyrazolopyrimidine	anticonvulsant; anxiolytic drug; central nervous system depressant; sedative
zonisamide	[no description available]	medium	1	0	1,2-benzoxazoles; sulfonamide	anticonvulsant; antioxidant; central nervous system drug; protective agent; T-type calcium channel blocker
zopiclone	[no description available]	medium	1	0	monochloropyridine; pyrrolopyrazine	central nervous system depressant; sedative
carbon tetrachloride	[no description available]	medium	1	0	chlorocarbon; chloromethanes	hepatotoxic agent; refrigerant
tubocurarine	[no description available]	medium	1	0	bisbenzylisoquinoline alkaloid	drug allergen; muscle relaxant; nicotinic antagonist
triamcinolone diacetate	[no description available]	medium	1	0	corticosteroid hormone
rotenone	[no description available]	medium	1	0	organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin
galantamine	[no description available]	medium	1	0	benzazepine alkaloid fundamental parent; benzazepine alkaloid; organic heterotetracyclic compound; tertiary amino compound	antidote to curare poisoning; cholinergic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant metabolite
procarbazine hydrochloride	[no description available]	medium	1	0	hydrochloride	antineoplastic agent
dimenhydrinate	[no description available]	medium	1	0	diarylmethane
1-naphthylisothiocyanate	[no description available]	medium	1	0	isothiocyanate	insecticide
hydroxychloroquine sulfate	[no description available]	medium	1	0
levonorgestrel	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound	contraceptive drug; female contraceptive drug; progestin; synthetic oral contraceptive
ethambutol hydrochloride	[no description available]	medium	1	0	hydrochloride	antitubercular agent
antimycin a	[no description available]	medium	1	0	benzamides; formamides; macrodiolide; phenols	antifungal agent; mitochondrial respiratory-chain inhibitor; piscicide
pregnenolone carbonitrile	[no description available]	medium	1	0	aliphatic nitrile
metylperon	[no description available]	medium	1	0	aromatic ketone
dicloxacillin	[no description available]	medium	1	0	dichlorobenzene; penicillin	antibacterial drug
etidronate disodium	[no description available]	medium	1	0	organic sodium salt	antineoplastic agent; bone density conservation agent; chelator
mafenide acetate	[no description available]	medium	1	0	carboxylic acid
diacerein	[no description available]	medium	1	0	anthraquinone
selegiline hydrochloride, (r)-isomer	[no description available]	medium	1	0	hydrochloride; terminal acetylenic compound	antiparkinson drug; dopaminergic agent; EC 1.4.3.4 (monoamine oxidase) inhibitor
pancuronium bromide	[no description available]	medium	1	0	bromide salt	cholinergic antagonist; muscle relaxant; nicotinic antagonist
ornidazole	[no description available]	medium	1	0	C-nitro compound; imidazoles; organochlorine compound; secondary alcohol	antiamoebic agent; antibacterial drug; antiinfective agent; antiprotozoal drug; antitrichomonal drug; epitope
benzonidazole	[no description available]	medium	1	0	C-nitro compound; imidazoles; monocarboxylic acid amide	antiprotozoal drug
carbidopa	[no description available]	medium	1	0	catechols; hydrazines; monocarboxylic acid	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
vecuronium bromide	[no description available]	medium	1	0	organic bromide salt; quaternary ammonium salt	muscle relaxant; neuromuscular agent; nicotinic antagonist
nitazoxanide	[no description available]	medium	1	0	benzamides; carboxylic ester
acarbose	[no description available]	medium	1	0	tetrasaccharide derivative	EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; geroprotector; hypoglycemic agent
staurosporine	[no description available]	medium	1	0	indolocarbazole alkaloid; organic heterooctacyclic compound	apoptosis inducer; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; geroprotector
atracurium besylate	[no description available]	medium	1	0	organosulfonate salt; quaternary ammonium salt	muscle relaxant; nicotinic antagonist
pergolide mesylate	[no description available]	medium	1	0	methanesulfonate salt	antiparkinson drug; dopamine agonist; geroprotector
talniflumate	[no description available]	medium	1	0	benzofurans
fenoldopam mesylate	[no description available]	medium	1	0	benzazepine
pefloxacin	[no description available]	medium	2	0	fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; N-arylpiperazine; quinolone antibiotic; quinolone	antibacterial drug; antiinfective agent; DNA synthesis inhibitor
flupirtine	[no description available]	medium	1	0	aminopyridine
stepronin	[no description available]	medium	1	0	N-acyl-amino acid
idazoxan	[no description available]	medium	1	0	benzodioxine; imidazolines	alpha-adrenergic antagonist
remoxipride	[no description available]	medium	1	0	dimethoxybenzene
cabergoline	[no description available]	medium	1	0	N-acylurea	antineoplastic agent; antiparkinson drug; dopamine agonist
salmeterol xinafoate	[no description available]	medium	1	0	naphthoic acid
finasteride	[no description available]	medium	1	0	3-oxo steroid; aza-steroid; delta-lactam	androgen antagonist; antihyperplasia drug; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
imiquimod	[no description available]	medium	1	0	imidazoquinoline	antineoplastic agent; interferon inducer
sertindole	[no description available]	medium	1	0	heteroarylpiperidine; imidazolidinone; organochlorine compound; organofluorine compound; phenylindole	alpha-adrenergic antagonist; H1-receptor antagonist; second generation antipsychotic; serotonergic antagonist
adapalene	[no description available]	medium	1	0	adamantanes; monocarboxylic acid; naphthoic acid	dermatologic drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; non-steroidal anti-inflammatory drug
aromasil	[no description available]	medium	1	0	17-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor; environmental contaminant; xenobiotic
gemcitabine hydrochloride	[no description available]	medium	1	0	hydrochloride; organofluorine compound	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral drug; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; immunosuppressive agent; radiosensitizing agent
aripiprazole	[no description available]	medium	1	0	aromatic ether; delta-lactam; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; quinolone	drug metabolite; H1-receptor antagonist; second generation antipsychotic; serotonergic agonist
atorvastatin calcium anhydrous	[no description available]	medium	1	0	organic calcium salt
duloxetine hydrochloride	[no description available]	medium	1	0	duloxetine hydrochloride	antidepressant
zolmitriptan	[no description available]	medium	1	0	oxazolidinone; tryptamines	anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
emtricitabine	[no description available]	medium	1	0	monothioacetal; nucleoside analogue; organofluorine compound; pyrimidone	antiviral drug; HIV-1 reverse transcriptase inhibitor
paroxetine hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
bupropion hydrochloride	[no description available]	medium	1	0	aromatic ketone
trazodone hydrochloride	[no description available]	medium	1	0	hydrochloride	adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor
doxazosin mesylate	[no description available]	medium	1	0	methanesulfonate salt	geroprotector
mevastatin	[no description available]	medium	1	0	2-pyranones; carboxylic ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	antifungal agent; apoptosis inducer; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; fungal metabolite; Penicillium metabolite
bupivacaine hydrochloride	[no description available]	medium	1	0	hydrochloride; racemate	adrenergic antagonist; amphiphile; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor; local anaesthetic
plerixafor	[no description available]	medium	1	0	azacycloalkane; azamacrocycle; benzenes; crown amine; secondary amino compound; tertiary amino compound	anti-HIV agent; antineoplastic agent; C-X-C chemokine receptor type 4 antagonist; immunological adjuvant
ticlopidine hydrochloride	[no description available]	medium	1	0	hydrochloride
epirubicin hydrochloride	[no description available]	medium	1	0
pazufloxacin	[no description available]	medium	1	0	quinolines
repaglinide	[no description available]	medium	1	0	piperidines
miconazole nitrate	[no description available]	medium	1	0
zoledronic acid	[no description available]	medium	1	0	1,1-bis(phosphonic acid); imidazoles	bone density conservation agent
artemisinin	[no description available]	medium	1	0	organic peroxide; sesquiterpene lactone	antimalarial; plant metabolite
brinzolamide	[no description available]	medium	1	0	sulfonamide; thienothiazine	antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor
drospirenone	[no description available]	medium	1	0	3-oxo-Delta(4) steroid; steroid lactone	aldosterone antagonist; contraceptive drug; progestin
artemether	[no description available]	medium	1	0	artemisinin derivative; cyclic acetal; organic peroxide; semisynthetic derivative; sesquiterpenoid	antimalarial
uk 68798	[no description available]	medium	1	0	aromatic ether; sulfonamide; tertiary amino compound	anti-arrhythmia drug; potassium channel blocker
hp 873	[no description available]	medium	1	0	1,2-benzoxazoles; aromatic ether; aromatic ketone; methyl ketone; monoamine; organofluorine compound; piperidines; tertiary amino compound	dopaminergic antagonist; second generation antipsychotic; serotonergic antagonist
loxapine succinate	[no description available]	medium	1	0	succinate salt	geroprotector
betamipron	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
uroxatral	[no description available]	medium	1	0	hydrochloride
aceclofenac	[no description available]	medium	1	0	amino acid; carboxylic ester; dichlorobenzene; monocarboxylic acid; secondary amino compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
thiocolchicoside	[no description available]	medium	1	0	glycoside
doripenem	[no description available]	medium	1	0	carbapenems
tamiflu	[no description available]	medium	1	0	phosphate salt
bexarotene	[no description available]	medium	1	0	benzoic acids; naphthalenes; retinoid	antineoplastic agent
s20098	[no description available]	medium	1	0	acetamides
flunisolide	[no description available]	medium	1	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; primary alpha-hydroxy ketone	anti-asthmatic drug; anti-inflammatory drug; immunosuppressive agent
ketorolac tromethamine	[no description available]	medium	1	0	organoammonium salt	analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor
gliquidone	[no description available]	medium	1	0	isoquinolines
moxifloxacin hydrochloride	[no description available]	medium	1	0	hydrochloride	antibacterial drug
fulvestrant	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-hydroxy steroid; organofluorine compound; sulfoxide	antineoplastic agent; estrogen antagonist; estrogen receptor antagonist
mizoribine	[no description available]	medium	1	0	imidazoles	anticoronaviral agent
racecadotril	[no description available]	medium	1	0	N-acyl-amino acid
tadalafil	[no description available]	medium	1	0	benzodioxoles; pyrazinopyridoindole	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
plavix	[no description available]	medium	1	0	azaheterocycle sulfate salt; organoammonium sulfate salt	anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor
pramipexole	[no description available]	medium	1	0	benzothiazoles; diamine	antidyskinesia agent; antiparkinson drug; dopamine agonist; radical scavenger
valdecoxib	[no description available]	medium	1	0	isoxazoles; sulfonamide	antipyretic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
mk 0663	[no description available]	medium	1	0	bipyridines; organochlorine compound; sulfone	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
desloratadine	[no description available]	medium	1	0	benzocycloheptapyridine	anti-allergic agent; cholinergic antagonist; drug metabolite; H1-receptor antagonist
abiraterone	[no description available]	medium	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; pyridines	antineoplastic agent; EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor
febuxostat	[no description available]	medium	1	0	1,3-thiazolemonocarboxylic acid; aromatic ether; nitrile	EC 1.17.3.2 (xanthine oxidase) inhibitor
lexapro	[no description available]	medium	1	0
docetaxel anhydrous	[no description available]	medium	1	0	secondary alpha-hydroxy ketone; tetracyclic diterpenoid	antimalarial; antineoplastic agent; photosensitizing agent
cox 189	[no description available]	medium	1	0	amino acid; monocarboxylic acid; organochlorine compound; organofluorine compound; secondary amino compound	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
xamoterol	[no description available]	medium	1	0	morpholines
telbivudine	[no description available]	medium	1	0	pyrimidine 2'-deoxyribonucleoside	antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
ramelteon	[no description available]	medium	1	0	indanes
bms204352	[no description available]	medium	1	0
tolvaptan	[no description available]	medium	1	0	benzazepine; benzenedicarboxamide	aquaretic; vasopressin receptor antagonist
lenalidomide	[no description available]	medium	1	0	aromatic amine; dicarboximide; isoindoles; piperidones	angiogenesis inhibitor; antineoplastic agent; immunomodulator
lacosamide	[no description available]	medium	1	0	N-acyl-amino acid
vincaleukoblastine	[no description available]	medium	1	0	acetate ester; indole alkaloid fundamental parent; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; immunosuppressive agent; microtubule-destabilising agent; plant metabolite
vincristine sulfate	[no description available]	medium	1	0	organic sulfate salt	antineoplastic agent; geroprotector
wortmannin	[no description available]	medium	1	0	acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound	anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent
pentostatin	[no description available]	medium	1	0	coformycins	antimetabolite; antineoplastic agent; Aspergillus metabolite; bacterial metabolite; EC 3.5.4.4 (adenosine deaminase) inhibitor
perindopril erbumine	[no description available]	medium	1	0	addition compound	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
miglitol	[no description available]	medium	1	0	piperidines
rocuronium bromide	[no description available]	medium	1	0	organic bromide salt; quaternary ammonium salt	muscle relaxant; neuromuscular agent
linezolid	[no description available]	medium	11	0	acetamides; morpholines; organofluorine compound; oxazolidinone	antibacterial drug; protein synthesis inhibitor
pemirolast potassium salt	[no description available]	medium	1	0
eplerenone	[no description available]	medium	1	0	3-oxo-Delta(4) steroid; epoxy steroid; gamma-lactone; methyl ester; organic heteropentacyclic compound; oxaspiro compound; steroid acid ester	aldosterone antagonist; antihypertensive agent
loteprednol etabonate	[no description available]	medium	1	0	11beta-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; etabonate ester; organochlorine compound; steroid acid ester; steroid ester	anti-inflammatory drug
fluticasone propionate	[no description available]	medium	1	0	11beta-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; corticosteroid; fluorinated steroid; propanoate ester; steroid ester; thioester	adrenergic agent; anti-allergic agent; anti-asthmatic drug; anti-inflammatory drug; bronchodilator agent; dermatologic drug
mupirocin	[no description available]	medium	1	0	alpha,beta-unsaturated carboxylic ester; epoxide; monocarboxylic acid; oxanes; secondary alcohol; triol	antibacterial drug; bacterial metabolite; protein synthesis inhibitor
valrubicin	[no description available]	medium	1	0	anthracycline; trifluoroacetamide
posaconazole	[no description available]	medium	1	0	aromatic ether; conazole antifungal drug; N-arylpiperazine; organofluorine compound; oxolanes; triazole antifungal drug; triazoles	trypanocidal drug
arginine vasopressin	[no description available]	medium	1	0	vasopressin	cardiovascular drug; hematologic agent; mitogen
trilostane	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-hydroxy steroid; androstanoid; epoxy steroid; nitrile	abortifacient; antineoplastic agent; EC 1.1.1.210 [3beta(or 20alpha)-hydroxysteroid dehydrogenase] inhibitor
leuprolide acetate	[no description available]	medium	1	0	acetate salt	antineoplastic agent; gonadotropin releasing hormone agonist
levosulpiride	[no description available]	medium	1	0	sulpiride	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
eszopiclone	[no description available]	medium	1	0	zopiclone	central nervous system depressant; sedative
cinnarizine	[no description available]	medium	1	0	diarylmethane; N-alkylpiperazine; olefinic compound	anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist
epalrestat	[no description available]	medium	1	0	monocarboxylic acid; thiazolidines	EC 1.1.1.21 (aldehyde reductase) inhibitor
drotaverin	[no description available]	medium	1	0	isoquinolines
valinomycin	[no description available]	medium	1	0	cyclodepsipeptide; macrocycle	antimicrobial agent; antiviral agent; bacterial metabolite; potassium ionophore
latoconazole	[no description available]	medium	1	0	conazole antifungal drug; imidazole antifungal drug
maraviroc	[no description available]	medium	1	0	tropane alkaloid
toremifene citrate	[no description available]	medium	1	0	stilbenoid	anticoronaviral agent
nelarabine	[no description available]	medium	1	0	beta-D-arabinoside; monosaccharide derivative; purine nucleoside	antineoplastic agent; DNA synthesis inhibitor; prodrug
quinine	[no description available]	medium	1	0	cinchona alkaloid	antimalarial; muscle relaxant; non-narcotic analgesic
azilect	[no description available]	medium	1	0
dasatinib	[no description available]	medium	1	0	1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor
sitagliptin	[no description available]	medium	1	0	triazolopyrazine; trifluorobenzene	EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; environmental contaminant; hypoglycemic agent; serine proteinase inhibitor; xenobiotic
quercetin	[no description available]	medium	1	0	7-hydroxyflavonol; pentahydroxyflavone	antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger
vitamin d 2	[no description available]	medium	1	0	hydroxy seco-steroid; seco-ergostane; vitamin D	bone density conservation agent; nutraceutical; plant metabolite; rodenticide
brompheniramine maleate	[no description available]	medium	1	0	maleate salt	anti-allergic agent
dexchlorpheniramine maleate	[no description available]	medium	1	0	organic molecular entity
l 660,711	[no description available]	medium	1	0	quinolines
travoprost	[no description available]	medium	1	0	(trifluoromethyl)benzenes; isopropyl ester; prostaglandins Falpha	antiglaucoma drug; antihypertensive agent; ophthalmology drug; prodrug; prostaglandin receptor agonist
imipenem	[no description available]	medium	1	0	carbapenems
ketotifen fumarate	[no description available]	medium	1	0	organoammonium salt	anti-asthmatic drug; H1-receptor antagonist
dinoprost tromethamine	[no description available]	medium	1	0	organic molecular entity
rosuvastatin calcium	[no description available]	medium	1	0	N-acyl-15-methylhexadecasphinganine-1-phosphoethanolamine; organic calcium salt	anti-inflammatory agent; cardioprotective agent; CETP inhibitor
terbinafine hydrochloride	[no description available]	medium	1	0	allylamine antifungal drug; hydrochloride	EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor
nalmefene	[no description available]	medium	1	0	morphinane alkaloid
acipimox	[no description available]	medium	1	0	pyrazinecarboxylic acid
atosiban	[no description available]	medium	1	0	oligopeptide
bimatoprost	[no description available]	medium	1	0	monocarboxylic acid amide	antiglaucoma drug; antihypertensive agent
latanoprost	[no description available]	medium	1	0	isopropyl ester; prostaglandins Falpha; triol	antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor; prodrug
nateglinide	[no description available]	medium	1	0	phenylalanine derivative
enalapril maleate	[no description available]	medium	1	0	maleate salt	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
pregabalin	[no description available]	medium	1	0	gamma-amino acid	anticonvulsant; calcium channel blocker
alvimopan anhydrous	[no description available]	medium	1	0	peptide
cci 15641	[no description available]	medium	1	0	cephalosporin
tenofovir disoproxil fumarate	[no description available]	medium	1	0	fumarate salt	antiviral drug; HIV-1 reverse transcriptase inhibitor; prodrug
dexbrompheniramine maleate	[no description available]	medium	1	0	brompheniramine maleate	anti-allergic agent; H1-receptor antagonist
rifaximin	[no description available]	medium	1	0	acetate ester; cyclic ketal; lactam; macrocycle; organic heterohexacyclic compound; rifamycins; semisynthetic derivative	antimicrobial agent; gastrointestinal drug; orphan drug
everolimus	[no description available]	medium	1	0	cyclic acetal; cyclic ketone; ether; macrolide lactam; primary alcohol; secondary alcohol	anticoronaviral agent; antineoplastic agent; geroprotector; immunosuppressive agent; mTOR inhibitor
cefpodoxime proxetil	[no description available]	medium	1	0	carboxylic acid; carboxylic ester; cephalosporin	antibacterial drug; prodrug
fluphenazine	[no description available]	medium	1	0
cefdinir	[no description available]	medium	1	0	cephalosporin; ketoxime	antibacterial drug
bisoprolol, fumarate (1:1) salt	[no description available]	medium	1	0
artesunate	[no description available]	medium	1	0	artemisinin derivative; cyclic acetal; dicarboxylic acid monoester; hemisuccinate; semisynthetic derivative; sesquiterpenoid	antimalarial; antineoplastic agent; ferroptosis inducer
etoposide phosphate	[no description available]	medium	1	0	furonaphthodioxole
ciclesonide	[no description available]	medium	1	0	organic molecular entity
temsirolimus	[no description available]	medium	1	0	macrolide lactam
dutasteride	[no description available]	medium	1	0	(trifluoromethyl)benzenes; aza-steroid; delta-lactam	antihyperplasia drug; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
tekturna	[no description available]	medium	1	0	fumarate salt	antihypertensive agent
vildagliptin	[no description available]	medium	1	0	amino acid amide
sgd 301-76	[no description available]	medium	1	0	conazole antifungal drug; imidazole antifungal drug; organic nitrate salt	antiinfective agent
fluvoxamine maleate	[no description available]	medium	1	0	(trifluoromethyl)benzenes
thioacetazone	[no description available]	medium	1	0
dexlansoprazole	[no description available]	medium	1	0	benzimidazoles; sulfoxide
gemifloxacin mesylate	[no description available]	medium	1	0	methanesulfonate salt	antimicrobial agent; topoisomerase IV inhibitor
rivaroxaban	[no description available]	medium	1	0	aromatic amide; lactam; monocarboxylic acid amide; morpholines; organochlorine compound; oxazolidinone; thiophenes	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor
hki 272	[no description available]	medium	1	0	nitrile; quinolines	antineoplastic agent; tyrosine kinase inhibitor
tofacitinib	[no description available]	medium	1	0	N-acylpiperidine; nitrile; pyrrolopyrimidine; tertiary amino compound	antirheumatic drug; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
pazopanib	[no description available]	medium	1	0	aminopyrimidine; indazoles; sulfonamide	angiogenesis modulating agent; antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist
amg 009	[no description available]	medium	1	0
cefotaxime sodium	[no description available]	medium	1	0	organic sodium salt
losartan potassium	[no description available]	medium	6	0
dactolisib	[no description available]	medium	1	0	imidazoquinoline; nitrile; quinolines; ring assembly; ureas	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
rabeprazole sodium	[no description available]	medium	1	0	organic sodium salt
bivalirudin	[no description available]	medium	1	0	polypeptide	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor
somatostatin	[no description available]	medium	1	0	heterodetic cyclic peptide; peptide hormone
ly-146032	[no description available]	medium	1	0	heterodetic cyclic peptide; lipopeptide antibiotic; lipopeptide; macrocycle; macrolide	antibacterial drug; bacterial metabolite; calcium-dependent antibiotics
warfarin sodium	[no description available]	medium	1	0
pravastatin sodium	[no description available]	medium	1	0	organic sodium salt; statin (semi-synthetic)	anticholesteremic drug
alendronate sodium	[no description available]	medium	1	0
sl 80.0750	[no description available]	medium	1	0
clavulanate potassium	[no description available]	medium	1	0	potassium salt	antibacterial drug; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor
piperacillin sodium	[no description available]	medium	1	0	organic sodium salt
cefazolin sodium	[no description available]	medium	1	0	organic sodium salt
azlocillin sodium	[no description available]	medium	1	0	organic sodium salt
roquinimex	[no description available]	medium	1	0	aromatic amide
isoxicam	[no description available]	medium	1	0	benzothiazine; isoxazoles; monocarboxylic acid amide	antirheumatic drug; non-steroidal anti-inflammatory drug
minocycline hydrochloride	[no description available]	medium	1	0
tigecycline	[no description available]	medium	2	0
valtrex	[no description available]	medium	1	0	organic molecular entity
citrovorum factor	[no description available]	medium	1	0	tetrahydrofolic acid
rifapentine	[no description available]	medium	1	0	N-alkylpiperazine; N-iminopiperazine; rifamycins	antitubercular agent; leprostatic drug
sildenafil citrate	[no description available]	medium	1	0	citrate salt	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
aprepitant	[no description available]	medium	1	0	(trifluoromethyl)benzenes; cyclic acetal; morpholines; triazoles	antidepressant; antiemetic; neurokinin-1 receptor antagonist; peripheral nervous system drug; substance P receptor antagonist
tegaserod maleate	[no description available]	medium	1	0	maleate salt	serotonergic agonist
tellurium	[no description available]	medium	1	0	chalcogen; metalloid atom
cadmium telluride	[no description available]	medium	1	0
lasalocid	[no description available]	medium	1	0	beta-hydroxy ketone; monocarboxylic acid; monohydroxybenzoic acid; oxanes; oxolanes; polyether antibiotic; secondary alcohol; tertiary alcohol	bacterial metabolite; coccidiostat; ionophore
gold	[no description available]	medium	3	0	copper group element atom; elemental gold
chitosan	[no description available]	medium	3	0
berberine	[no description available]	medium	1	1	alkaloid antibiotic; berberine alkaloid; botanical anti-fungal agent; organic heteropentacyclic compound	antilipemic drug; antineoplastic agent; antioxidant; EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor; EC 1.21.3.3 (reticuline oxidase) inhibitor; EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; hypoglycemic agent; metabolite; potassium channel blocker
mometasone furoate	[no description available]	medium	1	0	11beta-hydroxy steroid; 2-furoate ester; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; organochlorine compound; steroid ester	anti-allergic agent; anti-inflammatory drug
chlorine	[no description available]	medium	2	0	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
cobalt	[no description available]	medium	1	0	cobalt group element atom; metal allergen	micronutrient
nickel	[no description available]	medium	1	0	metal allergen; nickel group element atom	epitope; micronutrient
oxazolidin-2-one	[no description available]	medium	15	0	carbamate ester; oxazolidinone	metabolite
flumequine	[no description available]	medium	5	0	3-oxo monocarboxylic acid; organofluorine compound; pyridoquinoline; quinolone antibiotic
methane	[no description available]	medium	3	0	alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound	bacterial metabolite; fossil fuel; greenhouse gas
homoserine	[no description available]	medium	1	0	amino acid zwitterion; homoserine	algal metabolite; Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite
clonixin	[no description available]	medium	5	3	aminopyridine; organochlorine compound; pyridinemonocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; vasodilator agent
flunixin	[no description available]	medium	1	0	aminopyridine; organofluorine compound; pyridinemonocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
allicin	[no description available]	medium	1	0	botanical anti-fungal agent; sulfoxide	antibacterial agent
florfenicol amine	[no description available]	medium	43	3
beta-lactams	[no description available]	medium	4	0	beta-lactam antibiotic allergen; beta-lactam
fluorine	[no description available]	medium	1	0	diatomic fluorine; gas molecular entity	NMR chemical shift reference compound
mocetinostat	[no description available]	medium	1	0	aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline	antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent
glycyrrhizic acid	[no description available]	medium	2	0	enone; glucosiduronic acid; pentacyclic triterpenoid; tricarboxylic acid; triterpenoid saponin	EC 3.4.21.5 (thrombin) inhibitor; plant metabolite
tulathromycin	[no description available]	medium	18	7	aminoglycoside
titanium	[no description available]	medium	2	0	titanium group element atom
beta-escin	[no description available]	medium	1	0
enrofloxacin	[no description available]	medium	26	6	cyclopropanes; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone	antibacterial agent; antimicrobial agent; antineoplastic agent
tylosin	[no description available]	medium	30	10
lincomycin	[no description available]	high	8	0	carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound	antimicrobial agent; bacterial metabolite
tiamulin	[no description available]	medium	7	1	carbotricyclic compound; carboxylic ester; cyclic ketone; organic sulfide; secondary alcohol; semisynthetic derivative; tertiary amino compound; tetracyclic diterpenoid	antibacterial drug
tilmicosin	[no description available]	medium	20	6
hydrogen	[no description available]	medium	1	0	elemental hydrogen; elemental molecule; gas molecular entity	antioxidant; electron donor; food packaging gas; fuel; human metabolite
cephalexin	[no description available]	medium	3	0	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
chlorophyll a	[no description available]	medium	4	0	chlorophyll; methyl ester	cofactor
methyl isobutyl ketone	[no description available]	medium	1	0	ketone
methyl n-butyl ketone	[no description available]	medium	1	0	ketone
methanol	[no description available]	medium	1	0	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
serine	[no description available]	medium	2	0	L-alpha-amino acid; proteinogenic amino acid; serine family amino acid; serine zwitterion; serine	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
phenylserine	[no description available]	medium	1	0
azidoamphenicol	[no description available]	medium	3	0	organonitrogen compound; organooxygen compound
gamma-cyclodextrin	[no description available]	medium	1	0	cyclodextrin
danofloxacin	[no description available]	medium	4	0	quinolines
apramycin	[no description available]	medium	2	0	2-deoxystreptamine derivative; aminoglycoside; organic heterobicyclic compound	antibacterial drug; antimicrobial agent
sulfur	[no description available]	medium	1	0	chalcogen; nonmetal atom	macronutrient
oxymatrine	[no description available]	medium	1	0
phosphorus	[no description available]	medium	2	0	monoatomic phosphorus; nonmetal atom; pnictogen	macronutrient
nitrites	[no description available]	medium	2	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species	human metabolite
nitrates	[no description available]	medium	4	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species
flunixin meglumine	[no description available]	medium	4	3	organoammonium salt	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
tildipirosin	[no description available]	medium	1	1
phenoxyethanol	[no description available]	medium	1	0	aromatic ether; glycol ether; primary alcohol	antiinfective agent; central nervous system depressant
tricaine	[no description available]	medium	1	0	methanesulfonate salt	general anaesthetic
isoborneol	[no description available]	medium	1	0	borneol
adenosine diphosphate	[no description available]	medium	1	0	adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	fundamental metabolite; human metabolite
guanosine	[no description available]	medium	1	0	guanosines; purines D-ribonucleoside	fundamental metabolite
choline	[no description available]	medium	1	0	cholines	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite
marbofloxacin	[no description available]	medium	2	0	quinolines
acetonitrile	[no description available]	medium	5	0	aliphatic nitrile; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent
citral	[no description available]	medium	1	0	enal; monoterpenoid; polyprenal	plant metabolite; volatile oil component
carveol	[no description available]	medium	1	0	limonene monoterpenoid	plant metabolite; volatile oil component
linalool	[no description available]	medium	1	0	monoterpenoid; tertiary alcohol	antimicrobial agent; fragrance; plant metabolite; volatile oil component
limonene	[no description available]	medium	1	0	cycloalkene; p-menthadiene	human metabolite
carbonyl cyanide m-chlorophenyl hydrazone	[no description available]	medium	2	0	hydrazone; monochlorobenzenes; nitrile	antibacterial agent; geroprotector; ionophore
bisphenol a	[no description available]	medium	2	0	bisphenol	endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen
phthalic acid	[no description available]	medium	1	0	benzenedicarboxylic acid	human xenobiotic metabolite
formic acid	[no description available]	medium	1	0	monocarboxylic acid	antibacterial agent; astringent; metabolite; protic solvent; solvent
orabase	[no description available]	medium	1	0
pectins	[no description available]	medium	1	0	D-galactopyranuronic acid
thiamphenicol glycinate	[no description available]	medium	11	3	alpha-amino acid ester
cytochrome c-t	[no description available]	medium	1	0
cephalosporin c	[no description available]	medium	23	3	cephalosporin	fungal metabolite
malondialdehyde	[no description available]	medium	2	0	dialdehyde	biomarker
ceftiofur	[no description available]	medium	14	3
agar	[no description available]	medium	1	0
vanoxerine	[no description available]	medium	1	0	ether; N-alkylpiperazine; organofluorine compound; tertiary amino compound	dopamine uptake inhibitor
oxyclozanide	[no description available]	medium	1	0
acepromazine	[no description available]	medium	1	0	aromatic ketone; methyl ketone; phenothiazines; tertiary amino compound	phenothiazine antipsychotic drug
oxalic acid	[no description available]	medium	1	0	alpha,omega-dicarboxylic acid	algal metabolite; human metabolite; plant metabolite
oxazoles	[no description available]	medium	3	0	1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
rutin	[no description available]	medium	1	0	disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone	antioxidant; metabolite
cadmium sulfide	[no description available]	medium	1	0	cadmium molecular entity
chloramphenicol palmitate	[no description available]	medium	1	0	hexadecanoate ester
dextrothyroxine	[no description available]	medium	5	0
doramectin	[no description available]	medium	1	0	macrolide
cefquinome	[no description available]	medium	2	1
2,3,4,6-tetrachlorophenol	[no description available]	medium	1	0	tetrachlorophenol	xenobiotic metabolite
hydroxyl radical	[no description available]	medium	2	0	oxygen hydride; oxygen radical; reactive oxygen species
tedizolid phosphate	[no description available]	medium	1	0	carbamate ester; organofluorine compound; oxazolidinone; phosphate monoester; pyridines; tetrazoles	antimicrobial agent; prodrug; protein synthesis inhibitor
pheophytin a	[no description available]	medium	2	0
sulfaquinoxaline	[no description available]	medium	1	0	benzenes; sulfonamide
toltrazuril	[no description available]	medium	1	0	aromatic ether
robenidine	[no description available]	medium	1	0
sodium persulfate	[no description available]	medium	1	0
hydrogen carbonate	[no description available]	medium	1	0	carbon oxoanion	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
moxidectin	[no description available]	medium	2	0
avermectin	[no description available]	medium	1	0
gamithromycin	[no description available]	medium	1	0	macrolide antibiotic; monosaccharide derivative	antibacterial drug; protein synthesis inhibitor
azomycin	[no description available]	medium	1	0	C-nitro compound; imidazoles	antitubercular agent
1-methyl-2-((4-aminophenyl)sulfonyl)amino-5-nitroimidazole	[no description available]	medium	1	0
benzeneboronic acid	[no description available]	medium	1	0	boronic acids
sorbic acid	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid; sorbic acid
resazurin	[no description available]	medium	1	0	phenoxazine
salicylates	[no description available]	medium	1	0	monohydroxybenzoate	plant metabolite
betadex	[no description available]	medium	2	0	cyclodextrin
xanthenes	[no description available]	medium	1	0	xanthene
cyromazine	[no description available]	medium	1	0	triamino-1,3,5-triazine	mouse metabolite; triazine insecticide
singlet oxygen	[no description available]	medium	1	0	chalcogen; monoatomic oxygen; nonmetal atom	macronutrient
tetraethoxysilane	[no description available]	medium	1	0
manganese	[no description available]	medium	1	0	elemental manganese; manganese group element atom	Escherichia coli metabolite; micronutrient
chlorine	[no description available]	medium	2	0	diatomic chlorine; gas molecular entity	bleaching agent
nitromethane	[no description available]	medium	1	0	primary nitroalkane; volatile organic compound	EC 4.3.1.3 (histidine ammonia-lyase) inhibitor; explosive; NMR chemical shift reference compound; polar aprotic solvent
n-vinyl-2-pyrrolidinone	[no description available]	medium	1	0	pyrrolidin-2-ones
nitrous oxide	[no description available]	medium	1	0	gas molecular entity; nitrogen oxide	analgesic; bacterial metabolite; food packaging gas; food propellant; general anaesthetic; greenhouse gas; inhalation anaesthetic; NMDA receptor antagonist; raising agent; refrigerant; vasodilator agent
sulfadiazine, trimethoprim drug combination	[no description available]	medium	1	1
cerium	[no description available]	medium	1	0	f-block element atom; lanthanoid atom
titanium dioxide	[no description available]	medium	1	0	titanium oxides	food colouring
ceric oxide	[no description available]	medium	1	0	cerium molecular entity; metal oxide
ethidium	[no description available]	medium	2	0	phenanthridines	fluorochrome; intercalator
ceca1 protein, drosophila	[no description available]	medium	1	0
chiniofon	[no description available]	medium	1	0
carbostyril	[no description available]	medium	6	2	monohydroxyquinoline; quinolone	bacterial xenobiotic metabolite
taurocholic acid	[no description available]	medium	2	0	amino sulfonic acid; bile acid taurine conjugate	human metabolite
D-fructopyranose	[no description available]	medium	1	0	cyclic hemiketal; D-fructose; fructopyranose	sweetening agent
tylvalosin	[no description available]	medium	1	0
lead	[no description available]	medium	1	0	carbon group element atom; elemental lead; metal atom	neurotoxin
phenylalanine	[no description available]	medium	2	0	amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; phenylalanine; proteinogenic amino acid	algal metabolite; EC 3.1.3.1 (alkaline phosphatase) inhibitor; Escherichia coli metabolite; human xenobiotic metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
phenylalanine-beta-naphthylamide	[no description available]	medium	1	0	amino acid amide; L-phenylalanine derivative; N-(2-naphthyl)carboxamide	chromogenic compound
phenyl acetate	[no description available]	medium	2	0	benzenes; phenyl acetates
ammonium acetate	[no description available]	medium	1	0	acetate salt; ammonium salt	buffer; food acidity regulator
bergenin	[no description available]	medium	1	0	trihydroxybenzoic acid	metabolite
deuterium	[no description available]	medium	1	0	dihydrogen
lincospectin	[no description available]	medium	1	0
(9R)-9-chloro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one	[no description available]	medium	1	0	21-hydroxy steroid
thiamphenicol glycinate acetylcysteinate	[no description available]	medium	12	2
sodium azide	[no description available]	medium	1	0	inorganic sodium salt	antibacterial agent; explosive; mitochondrial respiratory-chain inhibitor; mutagen
arginine beta-naphthylamide	[no description available]	medium	1	0	amino acid amide; L-arginine derivative; N-(2-naphthyl)carboxamide	chromogenic compound
ethane	[no description available]	medium	1	0	alkane; gas molecular entity	plant metabolite; refrigerant
1,1,2,2-tetrachloroethane	[no description available]	medium	1	0	chloroethanes
tramiprosate	[no description available]	medium	1	1	amino sulfonic acid; zwitterion	algal metabolite; anti-inflammatory agent; anticonvulsant; GABA agonist; nootropic agent
bambermycins	[no description available]	medium	1	0
rafoxanide	[no description available]	medium	1	0
sb 203580	[no description available]	medium	1	0	imidazoles; monofluorobenzenes; pyridines; sulfoxide	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector; Hsp90 inhibitor; neuroprotective agent
ovalbumin	[no description available]	medium	1	0
streptogramin b	[no description available]	medium	1	0	cyclodepsipeptide	antibacterial drug; antimicrobial agent; bacterial metabolite
salinomycin	[no description available]	medium	1	0	polyketide; spiroketal	animal growth promotant; potassium ionophore
maduramicin	[no description available]	medium	1	0
monensin	[no description available]	medium	1	0	cyclic hemiketal; monocarboxylic acid; polyether antibiotic; spiroketal	antifungal agent; coccidiostat; ionophore
rifamycins	[no description available]	medium	1	0
thiophenes	[no description available]	medium	1	0	mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound	non-polar solvent
gentamicin	[no description available]	medium	5	0
cefepime	[no description available]	medium	1	0	cephalosporin; oxime O-ether	antibacterial drug
ro13-9904	[no description available]	medium	3	0
ru 66647	[no description available]	medium	1	0
streptogramin a	[no description available]	medium	1	0	1,3-oxazoles; cyclic ketone; enamide; lactam; macrolide antibiotic; macrolide; pyrroline; secondary alcohol; secondary carboxamide; tertiary carboxamide	antibacterial drug; Mycoplasma genitalium metabolite
2-methylpentane	[no description available]	medium	1	0	alkane
n-hexane	[no description available]	medium	1	0	alkane; volatile organic compound	neurotoxin; non-polar solvent
ormetoprim	[no description available]	medium	1	0	dimethoxybenzene
inosine pranobex	[no description available]	medium	1	0
cefoxitin	[no description available]	medium	2	0	beta-lactam antibiotic allergen; cephalosporin; cephamycin; semisynthetic derivative	antibacterial drug
cefuroxime	[no description available]	medium	3	0	carbamate ester; cephalosporin
rosoxacin	[no description available]	medium	1	0	pyridines; quinolinemonocarboxylic acid; quinolone antibiotic	antibacterial drug; antiinfective agent
carbon disulfide	[no description available]	medium	2	0	one-carbon compound; organosulfur compound
allylisopropylacetamide	[no description available]	medium	1	0
diuron	[no description available]	medium	1	0	3-(3,4-substituted-phenyl)-1,1-dimethylurea; dichlorobenzene	environmental contaminant; mitochondrial respiratory-chain inhibitor; photosystem-II inhibitor; urea herbicide; xenobiotic
dicyclohexylcarbodiimide	[no description available]	medium	1	0	carbodiimide	ATP synthase inhibitor; cross-linking reagent; peptide coupling reagent
oligomycins	[no description available]	medium	3	0
cycloheximide	[no description available]	medium	3	0	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor
nitrosochloramphenicol	[no description available]	medium	4	0
benzene	[no description available]	medium	1	0	aromatic annulene; benzenes; volatile organic compound	carcinogenic agent; environmental contaminant; non-polar solvent
thymidine	[no description available]	medium	2	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
cellulase	[no description available]	medium	1	0	cellotriose
hyaluronoglucosaminidase	[no description available]	medium	1	0
diphenadione	[no description available]	medium	1	1	beta-triketone; diarylmethane
ethacridine	[no description available]	medium	1	1	acridines
kynurenine	[no description available]	medium	1	0	aromatic ketone; non-proteinogenic alpha-amino acid; substituted aniline	human metabolite
monomethylhydrazine	[no description available]	medium	1	0
potassium chloride	[no description available]	medium	1	0	inorganic chloride; inorganic potassium salt; potassium salt	fertilizer
cyclic gmp	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide; guanyl ribonucleotide	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
ouabain	[no description available]	medium	1	0	11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone	anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite
cystine	[no description available]	medium	1	0
cloxacillin	[no description available]	medium	1	1	penicillin allergen; penicillin; semisynthetic derivative	antibacterial agent; antibacterial drug
sodium dodecyl sulfate	[no description available]	medium	1	0	organic sodium salt	detergent; protein denaturant
pyrethrins	[no description available]	medium	1	0
xylazine	[no description available]	medium	1	0	1,3-thiazine; methylbenzene; secondary amino compound	alpha-adrenergic agonist; analgesic; emetic; muscle relaxant; sedative
cypermethrin	[no description available]	medium	1	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound	agrochemical; molluscicide; pyrethroid ester acaricide; pyrethroid ester insecticide
clenbuterol	[no description available]	medium	1	0	amino alcohol; dichlorobenzene; ethanolamines; primary arylamine; secondary amino compound; substituted aniline	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
progabide	[no description available]	medium	1	0	diarylmethane
pyridoxal	[no description available]	medium	1	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
gamma-aminobutyric acid	[no description available]	medium	1	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid	human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule
fluorescein	[no description available]	medium	1	1	2-benzofurans; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; polyphenol; xanthene dye	fluorescent dye; radioopaque medium
ethyl acetate	[no description available]	medium	1	0	acetate ester; ethyl ester; volatile organic compound	EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; metabolite; polar aprotic solvent; Saccharomyces cerevisiae metabolite
toluene	[no description available]	medium	1	0	methylbenzene; toluenes; volatile organic compound	cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent
propylsulfonic acid	[no description available]	medium	1	0
aprindine	[no description available]	medium	1	0	indanes
muramidase	[no description available]	medium	1	0
endrin	[no description available]	medium	1	0
aldrin	[no description available]	medium	1	0
ethambutol	[no description available]	medium	1	0	ethanolamines; ethylenediamine derivative	antitubercular agent; environmental contaminant; xenobiotic
thiostrepton	[no description available]	medium	1	0
carbenicillin	[no description available]	medium	2	0	penicillin allergen; penicillin	antibacterial drug
furazolidone	[no description available]	medium	1	0	nitrofuran antibiotic; oxazolidines	antibacterial drug; antiinfective agent; antitrichomonal drug; EC 1.4.3.4 (monoamine oxidase) inhibitor
cyclacillin	[no description available]	medium	1	0	penicillin	antibacterial drug
sulbenicillin	[no description available]	medium	1	0	penicillin
colistin	[no description available]	medium	1	0
sisomicin	[no description available]	medium	1	0	amino cyclitol glycoside; aminoglycoside antibiotic; beta-L-arabinoside; monosaccharide derivative
uridine triphosphate	[no description available]	medium	1	0	pyrimidine ribonucleoside 5'-triphosphate; uridine 5'-phosphate	Escherichia coli metabolite; mouse metabolite
transferrin	[no description available]	medium	1	0
lymecycline	[no description available]	medium	1	0
ranitidine	[no description available]	medium	2	0	C-nitro compound; furans; organic sulfide; tertiary amino compound	anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic
cephapirin	[no description available]	medium	1	0	cephalosporin	antibacterial drug
puromycin	[no description available]	medium	1	0	puromycins	antiinfective agent; antimicrobial agent; antineoplastic agent; EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor; EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor; nucleoside antibiotic; protein synthesis inhibitor
aztreonam	[no description available]	medium	1	0
heme	[no description available]	medium	1	0
egg white	[no description available]	medium	2	0
bassianolide	[no description available]	medium	5	1	cyclodepsipeptide; cyclooctadepsipeptide	antineoplastic agent; fungal metabolite; insecticide
trolamine salicylate	[no description available]	medium	3	1
phenylephrine hydrochloride	[no description available]	medium	2	0	hydrochloride
cetylpyridinium chloride anhydrous	[no description available]	medium	2	2	chloride salt; organic chloride salt	antiseptic drug; surfactant
isomethyleugenol	[no description available]	medium	1	0	isomethyleugenol
clove	[no description available]	medium	1	0
guaifenesin	[no description available]	medium	2	0	methoxybenzenes
eye	[no description available]	medium	1	0
spermine	[no description available]	low	0	0	polyazaalkane; tetramine	antioxidant; fundamental metabolite; immunosuppressive agent
phenanthridone	[no description available]	low	0	0	lactam; phenanthridines	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; immunosuppressive agent; mutagen
chetomin	[no description available]	low	0	0	indoles; organic disulfide; organic heteropentacyclic compound	Chaetomium metabolite; immunosuppressive agent
gliotoxin	[no description available]	low	0	0	dipeptide; organic disulfide; organic heterotetracyclic compound; pyrazinoindole	antifungal agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; immunosuppressive agent; mycotoxin; proteasome inhibitor
dimethyl sulfate	[no description available]	low	0	0	alkyl sulfate	alkylating agent; immunosuppressive agent
scoparone	[no description available]	low	0	0	aromatic ether; coumarins	anti-allergic agent; anti-inflammatory agent; antihypertensive agent; antilipemic drug; immunosuppressive agent; plant metabolite
triphenyltin chloride	[no description available]	low	0	0	chlorine molecular entity; organotin compound	antifungal agrochemical; immunosuppressive agent
cyclophosphamide	[no description available]	low	0	0	hydrate	alkylating agent; antineoplastic agent; carcinogenic agent; immunosuppressive agent
perfosfamide	[no description available]	low	0	0	nitrogen mustard; organochlorine compound; peroxol; phosphorodiamide	alkylating agent; antineoplastic agent; drug allergen; immunosuppressive agent; metabolite
brequinar	[no description available]	low	0	0	biphenyls; monocarboxylic acid; monofluorobenzenes; quinolinemonocarboxylic acid	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral agent; EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor; immunosuppressive agent; pyrimidine synthesis inhibitor
gemcitabine	[no description available]	low	0	0	organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic
triptonide	[no description available]	low	0	0	butenolide; cyclic ketone; diterpene triepoxide; organic heteroheptacyclic compound	anti-inflammatory agent; antineoplastic agent; immunosuppressive agent
hydrocortamate	[no description available]	low	0	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; glucocorticoid; glycinyl ester; tertiary alpha-hydroxy ketone	anti-inflammatory drug; immunosuppressive agent
fingolimod hydrochloride	[no description available]	low	0	0	hydrochloride	immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist
4'-demethyldesoxypodophyllotoxin	[no description available]	low	0	0	furonaphthodioxole; gamma-lactone; lignan; methoxybenzenes; phenols	antineoplastic agent; antioxidant; immunosuppressive agent; plant metabolite
azaserine	[no description available]	low	0	0	carboxylic ester; diazo compound; L-serine derivative; non-proteinogenic L-alpha-amino acid	antifungal agent; antimetabolite; antimicrobial agent; antineoplastic agent; glutamine antagonist; immunosuppressive agent; metabolite
l 683590	[no description available]	low	0	0	ether; lactol; macrolide; secondary alcohol	antifungal agent; bacterial metabolite; immunosuppressive agent
thermozymocidin	[no description available]	low	0	0	alpha-amino fatty acid; hydroxy monocarboxylic acid; non-proteinogenic alpha-amino acid; sphingoid	antifungal agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor; fungal metabolite; immunosuppressive agent
5-(4-phenylbutoxy)psoralen	[no description available]	low	0	0	aromatic ether; benzenes; psoralens	geroprotector; immunosuppressive agent; potassium channel blocker
fty 720p	[no description available]	low	0	0	monoalkyl phosphate; primary alcohol; primary amino compound	antineoplastic agent; immunosuppressive agent; sphingosine-1-phosphate receptor agonist
sotrastaurin	[no description available]	low	0	0	indoles; maleimides; N-alkylpiperazine; N-arylpiperazine; quinazolines	anticoronaviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunosuppressive agent
demethylzeylasteral	[no description available]	low	0	0	arenecarbaldehyde; benzenediols; carbopolycyclic compound; cyclic ketone; enone; oxo monocarboxylic acid	anti-inflammatory agent; EC 2.4.1.17 (glucuronosyltransferase) inhibitor; immunosuppressive agent; nephroprotective agent; plant metabolite
ginsenoside rd	[no description available]	low	0	0	beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	anti-inflammatory drug; apoptosis inducer; immunosuppressive agent; neuroprotective agent; plant metabolite; vulnerary
brequinar sodium	[no description available]	low	0	0	organic sodium salt	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral agent; EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor; immunosuppressive agent; pyrimidine synthesis inhibitor
baricitinib	[no description available]	low	0	0	azetidines; nitrile; pyrazoles; pyrrolopyrimidine; sulfonamide	anti-inflammatory agent; antirheumatic drug; antiviral agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; immunosuppressive agent
euonine	[no description available]	low	0	0	acetate ester; dihydroagarofuran sesquiterpenoid; macrolide; pyridine alkaloid; sesquiterpene alkaloid	immunosuppressive agent; insecticide; plant metabolite
physalin f	[no description available]	low	0	0	enone; epoxy steroid; lactone; physalin	antileishmanial agent; antimalarial; antineoplastic agent; apoptosis inducer; immunosuppressive agent
brasilicardin a	[no description available]	low	0	0	benzoate ester; carbotricyclic compound; diterpenoid; N-acetyl-D-glucosaminide; non-proteinogenic alpha-amino acid; phenols	antimicrobial agent; antineoplastic agent; bacterial metabolite; immunosuppressive agent
undecylprodigiosin	[no description available]	low	0	0	alkaloid; aromatic ether; tripyrrole	antibacterial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; biological pigment; immunosuppressive agent; radiosensitizing agent
fosmidomycin	[no description available]	low	0	0	hydroxamic acid; phosphonic acids	antimicrobial agent; bacterial metabolite; EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitor
chlorocresol	[no description available]	low	0	0	hydroxytoluene; monochlorobenzenes	antimicrobial agent; disinfectant; ryanodine receptor agonist
bromodiphenhydramine	[no description available]	low	0	0	organobromine compound; tertiary amino compound	antimicrobial agent; H1-receptor antagonist; muscarinic antagonist
embelin	[no description available]	low	0	0	dihydroxy-1,4-benzoquinones	antimicrobial agent; antineoplastic agent; hepatitis C protease inhibitor; plant metabolite
lomefloxacin	[no description available]	low	0	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antimicrobial agent; antitubercular agent; photosensitizing agent
patulin	[no description available]	low	0	0	furopyran; gamma-lactone; lactol	antimicrobial agent; Aspergillus metabolite; carcinogenic agent; mutagen; mycotoxin; Penicillium metabolite
streptonigrin	[no description available]	low	0	0	pyridines; quinolone	antimicrobial agent; antineoplastic agent
sulfacetamide	[no description available]	low	0	0	N-sulfonylcarboxamide; substituted aniline	antibacterial drug; antiinfective agent; antimicrobial agent; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
allyl isothiocyanate	[no description available]	low	0	0	alkenyl isothiocyanate; isothiocyanate	antimicrobial agent; antineoplastic agent; apoptosis inducer; lachrymator; metabolite
methylene blue	[no description available]	low	0	0	organic chloride salt	acid-base indicator; antidepressant; antimalarial; antimicrobial agent; antioxidant; cardioprotective agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 4.6.1.2 (guanylate cyclase) inhibitor; fluorochrome; histological dye; neuroprotective agent; physical tracer
alpha phellandrene	[no description available]	low	0	0	cyclohexadiene; phellandrene	antimicrobial agent; plant metabolite; volatile oil component
triclocarban	[no description available]	low	0	0	dichlorobenzene; monochlorobenzenes; phenylureas	antimicrobial agent; antiseptic drug; disinfectant; environmental contaminant; xenobiotic
liriodenine	[no description available]	low	0	0	alkaloid antibiotic; cyclic ketone; organic heteropentacyclic compound; oxacycle; oxoaporphine alkaloid	antifungal agent; antimicrobial agent; antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite
carvacrol	[no description available]	low	0	0	botanical anti-fungal agent; p-menthane monoterpenoid; phenols	agrochemical; antimicrobial agent; flavouring agent; TRPA1 channel agonist; volatile oil component
hadacidin	[no description available]	low	0	0	aldehyde; monocarboxylic acid; N-hydroxy-alpha-amino-acid	antimicrobial agent; antineoplastic agent; Penicillium metabolite; teratogenic agent
sulfamoxole	[no description available]	low	0	0	oxazole; sulfonamide antibiotic; sulfonamide	antimicrobial agent; drug allergen
2-methoxy-1,4-naphthoquinone	[no description available]	low	0	0	1,4-naphthoquinones; enol ether	antimicrobial agent; metabolite; plant metabolite
pentadecanal	[no description available]	low	0	0	2,3-saturated fatty aldehyde; long-chain fatty aldehyde	antimicrobial agent; plant metabolite; volatile oil component
1-octen-3-ol	[no description available]	low	0	0	alkenyl alcohol; medium-chain fatty alcohol	antimicrobial agent; fungal metabolite; insect attractant; volatile oil component
nitroxoline	[no description available]	low	0	0	C-nitro compound; monohydroxyquinoline	antifungal agent; antiinfective agent; antimicrobial agent; renal agent
mitomycin a	[no description available]	low	0	0	ether; mitomycin	alkylating agent; antimicrobial agent; antineoplastic agent; toxin
streptozocin	[no description available]	low	0	0	N-acylglucosamine; N-nitrosoureas	antimicrobial agent; antineoplastic agent; DNA synthesis inhibitor; metabolite
ribostamycin	[no description available]	low	0	0	amino cyclitol glycoside; aminoglycoside antibiotic	antibacterial drug; antimicrobial agent; metabolite
5-chloro-2-methyl-4-isothiazolin-3-one	[no description available]	low	0	0	1,2-thiazoles; organochlorine compound	antimicrobial agent; environmental contaminant; xenobiotic
nigericin	[no description available]	low	0	0	polycyclic ether	antibacterial agent; antimicrobial agent; bacterial metabolite; potassium ionophore
imidazolidinyl urea	[no description available]	low	0	0	ureas	antimicrobial agent
2-methyl-4-isothiazolin-3-one	[no description available]	low	0	0	1,2-thiazoles	antifouling biocide; antifungal agent; antimicrobial agent
spectinomycin dihydrochloride	[no description available]	low	0	0	hydrochloride	antibacterial drug; antimicrobial agent
propamidine	[no description available]	low	0	0	aromatic ether; guanidines; polyether	antimicrobial agent; antiseptic drug
hexamidine	[no description available]	low	0	0	aromatic ether; guanidines; polyether	antimicrobial agent; antiseptic drug
sinefungin	[no description available]	low	0	0	adenosines; non-proteinogenic alpha-amino acid	antifungal agent; antimicrobial agent
propamidine isethionate	[no description available]	low	0	0	guanidinium salt; organosulfonate salt	antimicrobial agent; antiseptic drug
lupulon	[no description available]	low	0	0	beta-bitter acid	angiogenesis inhibitor; antimicrobial agent; antineoplastic agent; apoptosis inducer
lomefloxacin hydrochloride	[no description available]	low	0	0	hydrochloride	antimicrobial agent; antitubercular agent; photosensitizing agent
arbekacin	[no description available]	low	0	0	aminoglycoside; kanamycins	antibacterial agent; antibacterial drug; antimicrobial agent; protein synthesis inhibitor
vexibinol	[no description available]	low	0	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; tetrahydroxyflavanone	antimalarial; antimicrobial agent; antioxidant; plant metabolite
furanomycin	[no description available]	low	0	0	dihydrofuran; non-proteinogenic L-alpha-amino acid	antibacterial agent; antimicrobial agent; bacterial metabolite
benzoylmetronidazole	[no description available]	low	0	0	benzoate ester	antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; prodrug
primin	[no description available]	low	0	0	1,4-benzoquinones	allergen; antifeedant; antimicrobial agent; hapten; metabolite
tosufloxacin, 4-toluene sulfonate	[no description available]	low	0	0	racemate	antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; hepatotoxic agent; topoisomerase IV inhibitor
1-phenazinecarboxylic acid	[no description available]	low	0	0	aromatic carboxylic acid; monocarboxylic acid; phenazines	antifungal agent; antimicrobial agent; bacterial metabolite
cubebin	[no description available]	low	0	0	benzodioxoles; cyclic acetal; lactol; lignan; secondary alcohol	analgesic; anti-inflammatory agent; antimicrobial agent; histamine antagonist; plant metabolite; trypanocidal drug
olivomycin a	[no description available]	low	0	0	olivomycin; secondary alpha-hydroxy ketone	antimicrobial agent
ay 25545	[no description available]	low	0	0	acetate ester; aromatic ether; C-glycosyl compound; naphthoisochromene; olefinic compound; phenols; tertiary amine	antimicrobial agent; antineoplastic agent; bacterial metabolite
3,3'-neotrehalosadiamine	[no description available]	low	0	0	amino disaccharide; glycosyl glycoside derivative	antimicrobial agent; metabolite
aclacinomycin	[no description available]	low	0	0	aminoglycoside; anthracycline; deoxy hexoside; methyl ester; monosaccharide derivative; phenols; polyketide; tertiary alcohol; tetracenequinones; zwitterion	antimicrobial agent; antineoplastic agent; metabolite
i-677	[no description available]	low	0	0	L-serine derivative; non-proteinogenic L-alpha-amino acid	antimetabolite; antimicrobial agent; antineoplastic agent; metabolite
pannarin	[no description available]	low	0	0	aldehyde; aromatic ether; depsidones; organic heterotricyclic compound; organochlorine compound; phenols	antimicrobial agent; antineoplastic agent; apoptosis inducer; lichen metabolite
sclareol	[no description available]	low	0	0	labdane diterpenoid	antifungal agent; antimicrobial agent; apoptosis inducer; fragrance; plant metabolite
enniatin b	[no description available]	low	0	0	enniatin	antimicrobial agent
bisdechlorogeodin	[no description available]	low	0	0	1-benzofurans; cyclohexadiene; methyl ester; oxaspiro compound	antimicrobial agent
ml 236a	[no description available]	low	0	0	2-pyranones; carbobicyclic compound; hexahydronaphthalenes; polyketide; secondary alcohol	antiatherosclerotic agent; anticholesteremic drug; antilipemic drug; antimicrobial agent; EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; fungal metabolite
chloroorienticin b	[no description available]	low	0	0	cyclic ether; glycopeptide; heterodetic cyclic peptide; monosaccharide derivative; organochlorine compound; polyphenol	antimicrobial agent; bacterial metabolite
fumagillol	[no description available]	low	0	0	secondary alcohol; sesquiterpenoid; spiro-epoxide	antimicrobial agent
anisomycin	[no description available]	low	0	0	monohydroxypyrrolidine; organonitrogen heterocyclic antibiotic	anticoronaviral agent; antimicrobial agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; DNA synthesis inhibitor; protein synthesis inhibitor
acivicin	[no description available]	low	0	0	isoxazoles; non-proteinogenic L-alpha-amino acid; organochlorine compound	antileishmanial agent; antimetabolite; antimicrobial agent; antineoplastic agent; EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor; glutamine antagonist; metabolite
silver sulfadiazine	[no description available]	low	0	0	pyrimidines; silver salt; sulfonamidate	antibacterial drug; antimicrobial agent
aclarubicin	[no description available]	low	0	0	aminoglycoside; anthracycline; methyl ester; phenols; polyketide; tetracenequinones; trisaccharide derivative; zwitterion	antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
aphidicolin	[no description available]	low	0	0	tetracyclic diterpenoid	antimicrobial agent; antimitotic; antineoplastic agent; antiviral drug; apoptosis inducer; Aspergillus metabolite; DNA synthesis inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; fungal metabolite
antofine	[no description available]	low	0	0	alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound	angiogenesis inhibitor; anti-inflammatory agent; antimicrobial agent; antineoplastic agent; antiviral agent; phytotoxin; plant metabolite
sf 2370	[no description available]	low	0	0	bridged compound; gamma-lactam; methyl ester; organic heterooctacyclic compound	antimicrobial agent; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; tropomyosin-related kinase B receptor antagonist
chuangxinmycin	[no description available]	low	0	0	indole alkaloid; monocarboxylic acid; thiinoindole	antibacterial agent; antimicrobial agent; bacterial metabolite; EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor
telavancin	[no description available]	low	0	0	glycopeptide	antibacterial drug; antimicrobial agent
fraxetin	[no description available]	low	0	0	aromatic ether; hydroxycoumarin	anti-inflammatory agent; antibacterial agent; antimicrobial agent; antioxidant; apoptosis inducer; apoptosis inhibitor; Arabidopsis thaliana metabolite; hepatoprotective agent; hypoglycemic agent
quercetin 3-o-methyl ether	[no description available]	low	0	0	monomethoxyflavone; tetrahydroxyflavone	antimicrobial agent; metabolite
galangin	[no description available]	low	0	0	7-hydroxyflavonol; trihydroxyflavone	antimicrobial agent; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; plant metabolite
mangostin	[no description available]	low	0	0	aromatic ether; phenols; xanthones	antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite
maytansine	[no description available]	low	0	0	alpha-amino acid ester; carbamate ester; epoxide; maytansinoid; organic heterotetracyclic compound; organochlorine compound	antimicrobial agent; antimitotic; antineoplastic agent; plant metabolite; tubulin modulator
cerulenin	[no description available]	medium	0	0	epoxide; monocarboxylic acid amide	antifungal agent; antiinfective agent; antilipemic drug; antimetabolite; antimicrobial agent; fatty acid synthesis inhibitor
acetylspiramycin	[no description available]	low	0	0	acetate ester; aldehyde; disaccharide derivative; ether; macrolide; tertiary amino compound	antibacterial drug; antimicrobial agent; bacterial metabolite
ly 163892	[no description available]	low	0	0	carbacephem; zwitterion	antibacterial drug; antimicrobial agent
herbimycin	[no description available]	low	0	0	1,4-benzoquinones; lactam; macrocycle	antimicrobial agent; apoptosis inducer; herbicide; Hsp90 inhibitor; tyrosine kinase inhibitor
n-cinnamoyltyramine	[no description available]	low	0	0	cinnamamides; phenols; secondary carboxamide	allelochemical; antimicrobial agent; phytoalexin; platelet aggregation inhibitor
reumycin	[no description available]	low	0	0	carbonyl compound; pyrimidotriazine	antimicrobial agent; antineoplastic agent; bacterial metabolite
bialaphos	[no description available]	low	0	0	phosphinic acids; tripeptide	antimicrobial agent; bacterial metabolite
mastoparan	[no description available]	low	0	0	mastoparans; peptidyl amide	antimicrobial agent
sulfacetamide sodium	[no description available]	low	0	0	hydrate; organic sodium salt	antiinfective agent; antimicrobial agent; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
germacrone	[no description available]	low	0	0	germacrane sesquiterpenoid; olefinic compound	androgen antagonist; anti-inflammatory agent; antifeedant; antifungal agent; antimicrobial agent; antineoplastic agent; antioxidant; antitussive; antiviral agent; apoptosis inducer; autophagy inducer; hepatoprotective agent; insecticide; neuroprotective agent; plant metabolite; volatile oil component
piericidin a	[no description available]	low	0	0	aromatic ether; methylpyridines; monohydroxypyridine; secondary allylic alcohol	antimicrobial agent; bacterial metabolite; EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor; mitochondrial respiratory-chain inhibitor
manumycin	[no description available]	low	0	0	enamide; epoxide; organic heterobicyclic compound; polyketide; secondary carboxamide; tertiary alcohol	antiatherosclerotic agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; marine metabolite
demycarosylturimycin h	[no description available]	low	0	0	aldehyde; disaccharide derivative; ether; macrolide; tertiary amino compound	antibacterial drug; antimicrobial agent; bacterial metabolite
asukamycin	[no description available]	low	0	0	enamide; epoxide; organic heterobicyclic compound; polyketide; secondary carboxamide; tertiary alcohol	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; bacterial metabolite
kalimantacin a	[no description available]	low	0	0	alpha,beta-unsaturated monocarboxylic acid; carbamate ester; fatty acid derivative; secondary carboxamide	antibacterial agent; antimicrobial agent; bacterial metabolite
cefluprenam	[no description available]	low	0	0	cephalosporin; thiadiazoles	antimicrobial agent
platensimycin	[no description available]	medium	0	0	aromatic amide; cyclic ether; cyclic ketone; dihydroxybenzoic acid; monocarboxylic acid amide; polycyclic cage	antibacterial agent; antimicrobial agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor
fumagillin	[no description available]	low	0	0	antibiotic antifungal drug; carboxylic ester; dicarboxylic acid monoester; meroterpenoid; organooxygen heterocyclic antibiotic; spiro-epoxide	angiogenesis inhibitor; antibacterial drug; antimicrobial agent; antiprotozoal drug; fungal metabolite; methionine aminopeptidase 2 inhibitor
gemifloxacin	[no description available]	low	0	0	1,8-naphthyridine derivative; fluoroquinolone antibiotic; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; topoisomerase IV inhibitor
avibactam	[no description available]	medium	0	0	azabicycloalkane; hydroxylamine O-sulfonic acid; monocarboxylic acid amide; ureas	antibacterial drug; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor
ppi-0903	[no description available]	low	0	0	1,3-thiazoles; cephalosporin; iminium betaine; organic phosphoramidate; oxime O-ether; thiadiazoles	antibacterial drug; antimicrobial agent; prodrug
tmc-95a	[no description available]	low	0	0	indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol	antimicrobial agent; antineoplastic agent; bacterial metabolite; fungal metabolite; proteasome inhibitor
topopyrone c	[no description available]	low	0	0	naphthochromene; p-quinones; phenols	antimicrobial agent; antineoplastic agent; antiviral agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; Penicillium metabolite
monacolin j	[no description available]	low	0	0	2-pyranones; carbobicyclic compound; hexahydronaphthalenes; polyketide; secondary alcohol	antimicrobial agent; EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; fungal metabolite
nidulalin a	[no description available]	low	0	0	methyl ester; phenols; xanthones	antimicrobial agent; antineoplastic agent; Penicillium metabolite
elloramycin	[no description available]	low	0	0	alpha-L-rhamnoside; carboxylic ester; enol ether; enone; methyl ester; monosaccharide derivative; phenols; tertiary alpha-hydroxy ketone; tetracenomycin	antimicrobial agent; bacterial metabolite
arisugacin	[no description available]	low	0	0	aromatic ether; delta-lactone; enone; organic heterotetracyclic compound; tertiary alcohol	antimicrobial agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite; Penicillium metabolite
lactonamycin	[no description available]	low	0	0	gamma-lactone; organic heterohexacyclic compound; phenols; trideoxyhexose derivative	antibacterial agent; antimicrobial agent; metabolite
tmc-95b	[no description available]	low	0	0	indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol	antimicrobial agent; antineoplastic agent; fungal metabolite; proteasome inhibitor
fr 901464	[no description available]	medium	0	0	acetate ester; cyclic hemiketal; monocarboxylic acid amide; pyrans; spiro-epoxide	antimicrobial agent; antineoplastic agent; bacterial metabolite
tedizolid	[no description available]	low	0	0	carbamate ester; organofluorine compound; oxazolidinone; primary alcohol; pyridines; tetrazoles	antimicrobial agent; drug metabolite; protein synthesis inhibitor
32,33,34,35-bacteriohopanetetrol	[no description available]	low	0	0	hopanoid; tetrol	antimicrobial agent; bacterial metabolite; lipoxygenase inhibitor
chir 090	[no description available]	low	0	0	acetylenic compound; benzamides; hydroxamic acid; L-threonine derivative; morpholines	antimicrobial agent; EC 3.5.1.108 (UDP-3-O-acyl-N-acetylglucosamine deacetylase) inhibitor; lipopolysaccharide biosynthesis inhibitor
finafloxacin	[no description available]	low	0	0	cyclopropanes; monocarboxylic acid; nitrile; organofluorine compound; quinolone; secondary amino compound; tertiary amino compound	antibacterial drug; antimicrobial agent
physalin b	[no description available]	low	0	0	enone; lactone; organic heteroheptacyclic compound; physalin	antimalarial; antimicrobial agent; antineoplastic agent
anticapsin	[no description available]	low	0	0	alicyclic ketone; epoxide; L-alanine derivative; L-alpha-amino acid zwitterion; non-proteinogenic L-alpha-amino acid	antimetabolite; antimicrobial agent; bacterial metabolite; EC 2.6.1.16 (glutamine--fructose-6-phosphate transaminase (isomerizing)) inhibitor
cytotrienin a	[no description available]	low	0	0	cyclopropanecarboxylate ester; ether; hydroquinones; lactam; macrocycle; secondary alcohol	antibacterial agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; metabolite
complestatin	[no description available]	low	0	0	cyclic ether; heterodetic cyclic peptide; indoles; organic heterobicyclic compound; organochlorine compound; peptide antibiotic; polyphenol	anti-HIV-1 agent; antimicrobial agent; HIV-1 integrase inhibitor; metabolite
dalbavancin	[no description available]	low	0	0	carbohydrate acid derivative; glycopeptide; monosaccharide derivative; semisynthetic derivative	antibacterial drug; antimicrobial agent
oritavancin	[no description available]	low	0	0	disaccharide derivative; glycopeptide; semisynthetic derivative	antibacterial drug; antimicrobial agent
thiazomycin	[no description available]	low	0	0	heterodetic cyclic peptide	antibacterial agent; antimicrobial agent; bacterial metabolite
ristocetin	[no description available]	low	0	0	glycopeptide; heterodetic cyclic peptide; macrocycle; tetrasaccharide derivative	antibacterial drug; antimicrobial agent; bacterial metabolite; platelet-activating factor receptor agonist
platencin	[no description available]	medium	0	0	aromatic amide; cyclic ketone; dihydroxybenzoic acid; monocarboxylic acid amide; polycyclic cage	antibacterial agent; antimicrobial agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor
respirantin	[no description available]	low	0	0	benzamides; cyclodepsipeptide; formamides; phenols	antimicrobial agent; antineoplastic agent; metabolite
avilamycin a	[no description available]	low	0	0	benzoate ester; cyclic acetal; dichlorobenzene; oligosaccharide derivative; ortho ester; oxaspiro compound; phenols; tertiary alpha-hydroxy ketone	antimicrobial agent; bacterial metabolite
cathestatin b	[no description available]	low	0	0	dicarboxylic acid monoamide; epoxide; monocarboxylic acid; phenols; primary amino compound	antimicrobial agent; cysteine protease inhibitor; Penicillium metabolite
tazobactam sodium	[no description available]	low	0	0	organic sodium salt	antiinfective agent; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor
cefmetazole sodium	[no description available]	low	0	0	organic sodium salt	antimicrobial agent
borrelidin	[no description available]	low	0	0	aliphatic nitrile; diol; macrolide; monocarboxylic acid; secondary alcohol	antifungal agent; antimalarial; antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite
arenaemycin e	[no description available]	low	0	0	alpha,beta-unsaturated monocarboxylic acid; organic heterotricyclic compound; sesquiterpene lactone; spiro-epoxide	antimicrobial agent; bacterial metabolite; EC 1.2.1.12 [glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)] inhibitor
marinopyrrole a	[no description available]	low	0	0	aromatic ketone; organochlorine compound; phenols; pyrroles	antibacterial agent; antimicrobial agent; antineoplastic agent; bacterial metabolite; marine metabolite
nxl 104	[no description available]	low	0	0	organic sodium salt	antibacterial drug; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor
bacillaene	[no description available]	medium	0	0	enamine; monocarboxylic acid amide; polyene antibiotic; polyketide; secondary alcohol	antibacterial agent; antimicrobial agent; bacterial metabolite
brartemicin	[no description available]	low	0	0	benzoate ester; glycosyl glycoside derivative; resorcinols	antimicrobial agent; metabolite
muraymycin d2	[no description available]	low	0	0	zwitterion	antimicrobial agent
roseoflavin	[no description available]	low	0	0	benzopteridine	antimicrobial agent; bacterial metabolite
coumermycin	[no description available]	low	0	0	aromatic amide; coumarins; glycoside; heteroarenecarboxylate ester; pyrroles	antimicrobial agent; antineoplastic agent; bacterial metabolite; DNA synthesis inhibitor; Hsp90 inhibitor; topoisomerase IV inhibitor
ilicicolin h	[no description available]	low	0	0	aromatic ketone; carbobicyclic compound; ilicicolin; monohydroxypyridine; octahydronaphthalenes; phenols; pyridone	antimicrobial agent; mitochondrial respiratory-chain inhibitor
streptolydigin	[no description available]	medium	0	0	bridged compound; cyclic ketal; enol; monocarboxylic acid amide; N-glycosyl compound; organic heterobicyclic compound; pyrrolidinone; spiro-epoxide	antimicrobial agent; bacterial metabolite; EC 2.7.7.6 (RNA polymerase) inhibitor
vinylamycin	[no description available]	low	0	0	cyclodepsipeptide; macrocycle; primary alcohol	antibacterial agent; antimicrobial agent; metabolite
zorbamycin	[no description available]	low	0	0	glycopeptide	antimicrobial agent; bacterial metabolite
phleomycin d1	[no description available]	low	0	0	bi-1,3-thiazole; chelate-forming peptide; disaccharide derivative; glycopeptide; guanidines	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; bacterial metabolite
duramycin	[no description available]	low	0	0	heterodetic cyclic peptide; macrocycle	antimicrobial agent; apoptosis inducer; bacterial metabolite
ceftobiprole	[no description available]	low	0	0	cephalosporin; thiadiazoles	antimicrobial agent
pyrazofurin	[no description available]	low	0	0	C-glycosyl compound; pyrazoles	antimetabolite; antimicrobial agent; antineoplastic agent; EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor
indolmycin	[no description available]	low	0	0	1,3-oxazoles; indoles; secondary amino compound	antibacterial agent; antimicrobial agent; bacterial metabolite; EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor
streptothricin f	[no description available]	low	0	0	guanidinium ion; primary aliphatic ammonium ion	antimicrobial agent
dimethyl sulfone	[no description available]	low	0	0	sulfone
acedapsone	[no description available]	low	0	0	acetamides; anilide; secondary carboxamide; sulfone	antimalarial; antimicrobial drug
divinyl sulfone	[no description available]	low	0	0	sulfone	cross-linking reagent
bis(4-hydroxyphenyl)sulfone	[no description available]	low	0	0	bisphenol; sulfone	endocrine disruptor; metabolite
tetradifon	[no description available]	low	0	0	monochlorobenzenes; organochlorine acaricide; sulfone; trichlorobenzene
monoacetyldapsone	[no description available]	low	0	0	acetamides; anilide; secondary carboxamide; sulfone
oxycarboxin	[no description available]	low	0	0	anilide fungicide; anilide; organosulfur heterocyclic compound; oxacycle; sulfone	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
sulfolane	[no description available]	low	0	0	sulfone; tetrahydrothiophenes	polar aprotic solvent
eletriptan	[no description available]	low	0	0	indoles; N-alkylpyrrolidine; sulfone	non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
biotin sulfone	[no description available]	low	0	0	biotins; sulfone	metabolite
isoxaflutole	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ketone; cyclopropanes; isoxazoles; sulfone	agrochemical; EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor; proherbicide
oryzemate	[no description available]	low	0	0	1,2-benzisothiazole; aromatic ether; benzothiazole fungicide; sulfone	antifungal agrochemical; plant activator
sulcotrione	[no description available]	low	0	0	aromatic ketone; beta-triketone; cyclohexanones; sulfone	carotenoid biosynthesis inhibitor; environmental contaminant; herbicide; xenobiotic
dpx e9636	[no description available]	low	0	0	aromatic ether; N-sulfonylurea; pyridines; pyrimidines; sulfone	environmental contaminant; herbicide; xenobiotic
4,4'-bis(methylsulfonyl)-2,2',5,5'-tetrachlorobiphenyl	[no description available]	low	0	0	biphenyls; dichlorobenzene; sulfone
sc 58125	[no description available]	low	0	0	organofluorine compound; pyrazoles; sulfone	antineoplastic agent; cyclooxygenase 2 inhibitor
mesotrione	[no description available]	low	0	0	aromatic ketone; beta-triketone; C-nitro compound; sulfone	carotenoid biosynthesis inhibitor; EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor; environmental contaminant; herbicide; xenobiotic
cafenstrole	[no description available]	low	0	0	benzenes; sulfone; triazoles	agrochemical; antimitotic; herbicide
firocoxib	[no description available]	low	0	0	butenolide; cyclopropanes; enol ether; sulfone	antineoplastic agent; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
stattic	[no description available]	low	0	0	1-benzothiophenes; C-nitro compound; sulfone	antineoplastic agent; radiosensitizing agent; STAT3 inhibitor
fipronil sulfone	[no description available]	low	0	0	(trifluoromethyl)benzenes; dichlorobenzene; nitrile; pyrazoles; sulfone	marine xenobiotic metabolite
ro 41-5253	[no description available]	low	0	0	aromatic ether; benzoic acids; sulfone; thiochromane	apoptosis inducer; retinoic acid receptor alpha antagonist
bay 11-7082	[no description available]	low	0	0	nitrile; sulfone	apoptosis inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor
bay 11-7085	[no description available]	low	0	0	benzenes; nitrile; sulfone	anti-inflammatory agent; antibacterial agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; ferroptosis inducer; NF-kappaB inhibitor
ro 42-5892	[no description available]	low	0	0	cyclopropanes; diol; L-histidine derivative; secondary carboxamide; sulfone	antihypertensive agent; EC 3.4.23.15 (renin) inhibitor; peptidomimetic; vasodilator agent
l 744832	[no description available]	low	0	0	benzenes; ether; isopropyl ester; secondary carboxamide; sulfone; thiol	antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; geroprotector
ru 58668	[no description available]	low	0	0	17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; organofluorine compound; sulfone	anti-estrogen; antineoplastic agent; estrogen receptor antagonist
aldicarb sulfone	[no description available]	low	0	0	sulfone
ly 404039	[no description available]	low	0	0	bridged compound; dicarboxylic acid; non-proteinogenic amino acid derivative; organic heterobicyclic compound; sulfone	antipsychotic agent; anxiolytic drug; dopamine agonist; metabotropic glutamate receptor agonist
pha 665752	[no description available]	low	0	0	dichlorobenzene; enamide; indolones; N-acylpyrrolidine; pyrrolecarboxamide; secondary carboxamide; sulfone; tertiary carboxamide	antineoplastic agent; c-Met tyrosine kinase inhibitor
benzobicyclon	[no description available]	low	0	0	aromatic ketone; carbobicyclic compound; cyclic ketone; monochlorobenzenes; organic sulfide; sulfone
fluensulfone	[no description available]	low	0	0	1,3-thiazoles; olefinic compound; organochlorine pesticide; organofluorine pesticide; sulfone	agrochemical; nematicide
tembotrione	[no description available]	low	0	0	aromatic ketone; beta-triketone; cyclic ketone; ether; monochlorobenzenes; organofluorine compound; sulfone	agrochemical; carotenoid biosynthesis inhibitor; EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor; herbicide
apremilast	[no description available]	low	0	0	aromatic ether; N-acetylarylamine; phthalimides; sulfone	non-steroidal anti-inflammatory drug; phosphodiesterase IV inhibitor
narlaprevir	[no description available]	low	0	0	azabicyclohexane; cyclopropanes; pyrrolidinecarboxamide; secondary carboxamide; sulfone; tertiary carboxamide; ureas	anticoronaviral agent; antiviral drug; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; hepatitis C protease inhibitor
sar 1118	[no description available]	low	0	0	1-benzofurans; isoquinolines; L-phenylalanine derivative; N-acyl-L-alpha-amino acid; sulfone	anti-inflammatory drug; lymphocyte function-associated antigen-1 antagonist
alpha(-(cyclopropylcarbonyl)-2-(methyvlsulfonyl)-beta-oxo-4-(trifluromethyl)benzenepropanenitrile)	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ketone; beta-diketone; cyclopropanes; nitrile; sulfone	agrochemical; EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor; herbicide
WAY-316606	[no description available]	low	0	0	(trifluoromethyl)benzenes; piperidines; secondary amino compound; sulfonamide; sulfone	secreted frizzled-related protein 1 inhibitor
azd 7545	[no description available]	low	0	0	benzamides; monochlorobenzenes; organofluorine compound; secondary carboxamide; sulfone; tertiary alcohol; tertiary carboxamide	EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor; hypoglycemic agent
gdc 0449	[no description available]	low	0	0	benzamides; monochlorobenzenes; pyridines; sulfone	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist; teratogenic agent
navitoclax	[no description available]	low	0	0	aryl sulfide; monochlorobenzenes; morpholines; N-sulfonylcarboxamide; organofluorine compound; piperazines; secondary amino compound; sulfone; tertiary amino compound	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor
asp3026	[no description available]	low	0	0	aromatic amine; diamino-1,3,5-triazine; monomethoxybenzene; N-methylpiperazine; piperidines; secondary amino compound; sulfone	antimalarial; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 6.1.1.6 (lysine--tRNA ligase) inhibitor
ceritinib	[no description available]	low	0	0	aminopyrimidine; aromatic ether; organochlorine compound; piperidines; secondary amino compound; sulfone	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
sr9243	[no description available]	low	0	0	bromobenzenes; sulfonamide; sulfone	antineoplastic agent; apoptosis inducer; liver X receptor inverse agonist
indoleacetamide	[no description available]	low	0	0	indoles; monocarboxylic acid amide; N-acylammonia	bacterial metabolite; fungal metabolite; plant metabolite
dihydrolipoamide	[no description available]	low	0	0	dithiol; monocarboxylic acid amide	cofactor; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
formamide	[no description available]	low	0	0	carboximidic acid; formamides; monocarboxylic acid amide; one-carbon compound	solvent
lipoamide	[no description available]	low	0	0	dithiolanes; monocarboxylic acid amide	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
pk 11195	[no description available]	low	0	0	aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes	antineoplastic agent
5-(n,n-hexamethylene)amiloride	[no description available]	low	0	0	aromatic amine; azepanes; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines	antineoplastic agent; apoptosis inducer; odorant receptor antagonist; sodium channel blocker
ethylisopropylamiloride	[no description available]	low	0	0	aromatic amine; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines; tertiary amino compound	anti-arrhythmia drug; neuroprotective agent; sodium channel blocker
acetochlor	[no description available]	low	0	0	aromatic amide; monocarboxylic acid amide; organochlorine compound	environmental contaminant; herbicide; xenobiotic
alachlor	[no description available]	low	0	0	aromatic amide; monocarboxylic acid amide; organochlorine compound	environmental contaminant; herbicide; xenobiotic
ampiroxicam	[no description available]	low	0	0	acetal; aminopyridine; benzothiazine; etabonate ester; monocarboxylic acid amide; sulfonamide	analgesic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug; prodrug
carcinine	[no description available]	low	0	0	beta-alanine derivative; imidazoles; monocarboxylic acid amide; organonitrogen compound; organooxygen compound	antioxidant; crustacean metabolite
dacarbazine	[no description available]	low	0	0	imidazoles; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; carcinogenic agent; prodrug
dibucaine	[no description available]	low	0	0	aromatic ether; monocarboxylic acid amide; tertiary amino compound	topical anaesthetic
dimethoate	[no description available]	low	0	0	monocarboxylic acid amide; organic thiophosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic
doxazosin	[no description available]	low	0	0	aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines	alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent
etanidazole	[no description available]	low	0	0	C-nitro compound; imidazoles; monocarboxylic acid amide	alkylating agent; antineoplastic agent; prodrug; radiosensitizing agent
qx-314	[no description available]	low	0	0	monocarboxylic acid amide	local anaesthetic
pipamperone	[no description available]	low	0	0	aromatic ketone; bipiperidines; monocarboxylic acid amide; organofluorine compound; tertiary amino compound	dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
prilocaine	[no description available]	low	0	0	amino acid amide; monocarboxylic acid amide	anticonvulsant; local anaesthetic
propachlor	[no description available]	low	0	0	anilide; monocarboxylic acid amide; organochlorine compound	environmental contaminant; herbicide; xenobiotic
carbamylhydrazine	[no description available]	low	0	0	carbohydrazide; monocarboxylic acid amide; one-carbon compound; ureas
propionamide	[no description available]	low	0	0	monocarboxylic acid amide; primary fatty amide
n-methylacetamide	[no description available]	low	0	0	acetamides; monocarboxylic acid amide	metabolite
2-phenylacetamide	[no description available]	low	0	0	monocarboxylic acid amide	mouse metabolite
6-aminonicotinamide	[no description available]	low	0	0	aminopyridine; monocarboxylic acid amide; primary amino compound	antimetabolite; EC 1.1.1.44 (NADP(+)-dependent decarboxylating phosphogluconate dehydrogenase) inhibitor; teratogenic agent
aminoimidazole carboxamide	[no description available]	low	0	0	aminoimidazole; monocarboxylic acid amide	mouse metabolite
valeramide	[no description available]	low	0	0	monocarboxylic acid amide
devrinol	[no description available]	low	0	0	aromatic ether; monocarboxylic acid amide; naphthalenes
lisuride	[no description available]	low	0	0	monocarboxylic acid amide	antidyskinesia agent; antiparkinson drug; dopamine agonist; serotonergic agonist
dimethylacetamide	[no description available]	low	0	0	acetamides; monocarboxylic acid amide	human metabolite
n-methyl-n-(trimethylsilyl)trifluoroacetamide	[no description available]	low	0	0	monocarboxylic acid amide; N-silyl compound; trifluoroacetamide	chromatographic reagent
tocainide	[no description available]	low	0	0	monocarboxylic acid amide	anti-arrhythmia drug; local anaesthetic; sodium channel blocker
closantel	[no description available]	low	0	0	aromatic amide; monocarboxylic acid amide; monochlorobenzenes; nitrile; organoiodine compound; phenols
ranolazine	[no description available]	low	0	0	aromatic amide; monocarboxylic acid amide; monomethoxybenzene; N-alkylpiperazine; secondary alcohol
remifentanil	[no description available]	low	0	0	alpha-amino acid ester; anilide; monocarboxylic acid amide; piperidinecarboxylate ester	intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; sedative
3-methylfentanyl	[no description available]	low	0	0	monocarboxylic acid amide; piperidines	mu-opioid receptor agonist; opioid analgesic; sedative
4-fluorofentanyl	[no description available]	low	0	0	monocarboxylic acid amide; organofluorine compound; piperidines
1,2,4-triazole-3-carboxamide	[no description available]	low	0	0	aromatic amide; monocarboxylic acid amide; primary carboxamide; triazoles	drug metabolite; human urinary metabolite
aloxistatin	[no description available]	low	0	0	epoxide; ethyl ester; L-leucine derivative; monocarboxylic acid amide	anticoronaviral agent; cathepsin B inhibitor
phenylacetylglycine	[no description available]	low	0	0	monocarboxylic acid amide; monocarboxylic acid; N-acylglycine	human metabolite; mouse metabolite
mandelamide	[no description available]	low	0	0	benzyl alcohols; monocarboxylic acid amide; secondary alcohol
5-(3-methyl-1-triazeno)imidazole-4-carboxamide	[no description available]	low	0	0	imidazoles; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent
biocytin	[no description available]	low	0	0	azabicycloalkane; L-alpha-amino acid zwitterion; L-lysine derivative; monocarboxylic acid amide; non-proteinogenic L-alpha-amino acid; thiabicycloalkane; ureas	mouse metabolite
biotinamide	[no description available]	low	0	0	biotins; monocarboxylic acid amide	human metabolite
lactamide	[no description available]	low	0	0	monocarboxylic acid amide; secondary alcohol
ribavirin 5'-diphosphate	[no description available]	low	0	0	1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide; ribose monophosphate	antiviral agent; drug metabolite; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; human blood serum metabolite
difenpiramide	[no description available]	low	0	0	biphenyls; monocarboxylic acid amide; pyridines	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
u 69593	[no description available]	low	0	0	monocarboxylic acid amide; N-alkylpyrrolidine; organic heterobicyclic compound; oxaspiro compound	anti-inflammatory agent; diuretic; kappa-opioid receptor agonist
phenazine-1-carboxamide	[no description available]	low	0	0	aromatic amide; monocarboxylic acid amide; phenazines
ribavirin 5'-triphosphate	[no description available]	low	0	0	1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide; ribose triphosphate	antiviral agent; drug metabolite; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; eukaryotic initiation factor 4F inhibitor; human blood serum metabolite
4-carbamoylimidazolium 5-olate	[no description available]	low	0	0	hydroxyimidazole; monocarboxylic acid amide	antineoplastic agent
ribavirin 5'-diphosphate	[no description available]	low	0	0	1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide; ribose diphosphate	antiviral agent; drug metabolite
dexpanthenol	[no description available]	low	0	0	amino alcohol; monocarboxylic acid amide	cholinergic drug; provitamin
cercosporamide	[no description available]	low	0	0	dibenzofurans; methyl ketone; monocarboxylic acid amide; polyphenol	antifungal agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; fungal metabolite; phytotoxin
cyclazosin	[no description available]	low	0	0	aromatic amide; aromatic ether; furans; monocarboxylic acid amide; quinazolines; quinoxaline derivative	adenosine A2A receptor antagonist
nepafenac	[no description available]	low	0	0	monocarboxylic acid amide	cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
rp 73401	[no description available]	low	0	0	aromatic ether; benzamides; chloropyridine; monocarboxylic acid amide	anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; phosphodiesterase IV inhibitor
n-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide	[no description available]	low	0	0	anilide fungicide; aromatic amide; dichlorobenzene; monocarboxylic acid amide; phenols	antifungal agrochemical; EC 1.14.13.72 (methylsterol monooxygenase) inhibitor; sterol biosynthesis inhibitor
norfentanyl	[no description available]	low	0	0	anilide; monocarboxylic acid amide; piperidines	drug metabolite; opioid analgesic
rocaglamide	[no description available]	low	0	0	monocarboxylic acid amide; monomethoxybenzene; organic heterotricyclic compound	antileishmanial agent; antineoplastic agent; metabolite
taurolithocholic acid	[no description available]	low	0	0	bile acid taurine conjugate; monocarboxylic acid amide	human metabolite
ochratoxin a	[no description available]	low	0	0	isochromanes; monocarboxylic acid amide; N-acyl-L-phenylalanine; organochlorine compound; phenylalanine derivative	Aspergillus metabolite; calcium channel blocker; carcinogenic agent; mycotoxin; nephrotoxin; Penicillium metabolite; teratogenic agent
ergonovine	[no description available]	low	0	0	ergot alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound; primary alcohol; secondary amino compound; tertiary amino compound	diagnostic agent; fungal metabolite; oxytocic; toxin
darifenacin	[no description available]	low	0	0	1-benzofurans; monocarboxylic acid amide; pyrrolidines	antispasmodic drug; muscarinic antagonist
adenosine-5'-(n-ethylcarboxamide)	[no description available]	low	0	0	adenosines; monocarboxylic acid amide	adenosine A1 receptor agonist; adenosine A2A receptor agonist; antineoplastic agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
glucuronamide	[no description available]	low	0	0	monocarboxylic acid amide; monosaccharide derivative
n-methyl-n-(tert-butyldimethylsilyl)trifluoroacetamide	[no description available]	low	0	0	monocarboxylic acid amide; N-silyl compound; trifluoroacetamide	chromatographic reagent
n-(3-chloro-4-methylphenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide	[no description available]	low	0	0	anilide fungicide; monocarboxylic acid amide; monochlorobenzenes; organosulfur compound; thiadiazoles	antifungal agrochemical
u-50488	[no description available]	low	0	0	dichlorobenzene; monocarboxylic acid amide; N-alkylpyrrolidine	analgesic; antitussive; calcium channel blocker; diuretic; kappa-opioid receptor agonist
N-octylhomovanillamide	[no description available]	low	0	0	guaiacols; monocarboxylic acid amide	protective agent
adenosine-5'-(N-propyl)carboxamide	[no description available]	low	0	0	adenosines; monocarboxylic acid amide
ex 527	[no description available]	low	0	0	carbazoles; monocarboxylic acid amide; organochlorine compound
fortimicin a	[no description available]	low	0	0	amino cyclitol glycoside; aminoglycoside antibiotic; diol; monocarboxylic acid amide; primary amino compound	antibacterial agent; metabolite
ag-490	[no description available]	low	0	0	catechols; enamide; monocarboxylic acid amide; nitrile; secondary carboxamide	anti-inflammatory agent; antioxidant; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector; STAT3 inhibitor
su 11248	[no description available]	low	0	0	monocarboxylic acid amide; pyrroles	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; immunomodulator; neuroprotective agent; vascular endothelial growth factor receptor antagonist
monocrotophos	[no description available]	low	0	0	alkenyl phosphate; dialkyl phosphate; monocarboxylic acid amide; organophosphate insecticide	acaricide; agrochemical; avicide; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor
l 685458	[no description available]	low	0	0	carbamate ester; monocarboxylic acid amide; peptide; secondary alcohol	EC 3.4.23.46 (memapsin 2) inhibitor; peptidomimetic
aliskiren	[no description available]	low	0	0	monocarboxylic acid amide; monomethoxybenzene	antihypertensive agent
su 1498	[no description available]	low	0	0	enamide; monocarboxylic acid amide; nitrile; phenols; secondary carboxamide	vascular endothelial growth factor receptor antagonist
n(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid	[no description available]	low	0	0	enoate ester; methyl ester; monocarboxylic acid amide	metabolite
ekb 569	[no description available]	low	0	0	aminoquinoline; monocarboxylic acid amide; monochlorobenzenes; nitrile	protein kinase inhibitor
netupitant	[no description available]	low	0	0	aminopyridine; monocarboxylic acid amide; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; toluenes	antiemetic; neurokinin-1 receptor antagonist
2-(4-fluoro-3-(trifluoromethyl)phenoxy)-n-(phenylmethyl)butanamide	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; monocarboxylic acid amide; monofluorobenzenes
1-methyl-d-lysergic acid butanolamide	[no description available]	low	0	0	ergot alkaloid; monocarboxylic acid amide	serotonergic antagonist; sympatholytic agent; vasoconstrictor agent
vilazodone	[no description available]	low	0	0	1-benzofurans; indoles; monocarboxylic acid amide; N-alkylpiperazine; N-arylpiperazine; nitrile	antidepressant; serotonergic agonist; serotonin uptake inhibitor
n-demethylloperamide	[no description available]	low	0	0	monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol	drug metabolite
lenvatinib	[no description available]	low	0	0	aromatic amide; aromatic ether; cyclopropanes; monocarboxylic acid amide; monochlorobenzenes; phenylureas; quinolines	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist; orphan drug; vascular endothelial growth factor receptor antagonist
mirabegron	[no description available]	low	0	0	1,3-thiazoles; aromatic amide; ethanolamines; monocarboxylic acid amide	beta-adrenergic agonist
avanafil	[no description available]	low	0	0	aromatic amide; monocarboxylic acid amide; organochlorine compound; prolinols; pyrimidines	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
selexipag	[no description available]	low	0	0	aromatic amine; ether; monocarboxylic acid amide; N-sulfonylcarboxamide; pyrazines; tertiary amino compound	orphan drug; platelet aggregation inhibitor; prodrug; prostacyclin receptor agonist; vasodilator agent
3-iodo-4-aminobenzyl-5'-N-methylcarboxamidoadenosine	[no description available]	low	0	0	adenosines; monocarboxylic acid amide; organoiodine compound
ly-2157299	[no description available]	low	0	0	aromatic amide; methylpyridines; monocarboxylic acid amide; pyrrolopyrazole; quinolines	antineoplastic agent; TGFbeta receptor antagonist
SIS3 free base	[no description available]	low	0	0	aromatic ether; enamide; isoquinolines; monocarboxylic acid amide; pyrrolopyridine; tertiary carboxamide	Smad3 inhibitor
bl1521	[no description available]	low	0	0	enamide; hydroxamic acid; monocarboxylic acid amide	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
tasimelteon	[no description available]	low	0	0	1-benzofurans; cyclopropanes; monocarboxylic acid amide	melatonin receptor agonist
edoxaban	[no description available]	low	0	0	chloropyridine; monocarboxylic acid amide; tertiary amino compound; thiazolopyridine	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor; platelet aggregation inhibitor
bms 477118	[no description available]	low	0	0	adamantanes; azabicycloalkane; monocarboxylic acid amide; nitrile; tertiary alcohol	EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent
mandipropamid	[no description available]	low	0	0	aromatic ether; monocarboxylic acid amide; monochlorobenzenes; terminal acetylenic compound
bay 60-6583	[no description available]	low	0	0	aminopyridine; aromatic ether; aryl sulfide; cyanopyridine; cyclopropanes; monocarboxylic acid amide	adenosine A2B receptor agonist; anti-inflammatory agent; cardioprotective agent
vx-770	[no description available]	low	0	0	aromatic amide; monocarboxylic acid amide; phenols; quinolone	CFTR potentiator; orphan drug
tenovin-6	[no description available]	low	0	0	monocarboxylic acid amide; tertiary amino compound; thioureas	antineoplastic agent; p53 activator; Sir2 inhibitor
cobicistat	[no description available]	low	0	0	1,3-thiazoles; carbamate ester; monocarboxylic acid amide; morpholines; ureas	P450 inhibitor
fluazaindolizine	[no description available]	low	0	0	aromatic amide; imidazopyridine; monocarboxylic acid amide; monochlorobenzenes; monomethoxybenzene; N-sulfonylcarboxamide; organofluorine pesticide	agrochemical; nematicide
crambescidin 800	[no description available]	low	0	0	alkaloid; carboxylic ester; guanidines; monocarboxylic acid amide; organic heteropentacyclic compound; primary amino compound; secondary alcohol; spiro compound	anti-HIV-1 agent; anti-HSV-1 agent; antimalarial; marine metabolite
gsk1265744	[no description available]	low	0	0	difluorobenzene; monocarboxylic acid amide; organic heterotricyclic compound; secondary carboxamide	HIV-1 integrase inhibitor
dolutegravir	[no description available]	low	0	0	difluorobenzene; monocarboxylic acid amide; organic heterotricyclic compound; secondary carboxamide	HIV-1 integrase inhibitor
3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]pyrazole-4-carboxamide	[no description available]	low	0	0	aromatic amide; monocarboxylic acid amide; organofluorine compound; pyrazoles; trichlorobenzene
HG-10-102-01	[no description available]	low	0	0	aminopyrimidine; aromatic ether; monocarboxylic acid amide; morpholines; organochlorine compound; secondary amino compound	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
bictegravir	[no description available]	low	0	0	monocarboxylic acid amide; organic heterotetracyclic compound; secondary carboxamide; trifluorobenzene	HIV-1 integrase inhibitor
ver 52296	[no description available]	low	0	0	aromatic amide; isoxazoles; monocarboxylic acid amide; morpholines; resorcinols	angiogenesis inhibitor; antineoplastic agent; Hsp90 inhibitor

Article	Year
Effects of natural nanoparticles on the acute toxicity, chronic effect, and oxidative stress response of phenicol antibiotics in Daphnia magna. Environmental science and pollution research international, Volume: 30, Issue: 8	2023
Removal of chloramphenicol antibiotics in natural and engineered water systems: Review of reaction mechanisms and product toxicity. The Science of the total environment, Dec-01, Volume: 850	2022
The effects of extended feeding of florfenicol coated medicated diets on the safety, serum biomarkers and blood cells morphology of Nile tilapia Oreochromis niloticus (L.). Environmental science and pollution research international, Volume: 29, Issue: 26	2022
Florfenicol induces renal toxicity in chicks by promoting oxidative stress and apoptosis. Environmental science and pollution research international, Volume: 28, Issue: 1	2021
A randomized, controlled, single-blinded, multicenter evaluation of the efficacy and safety of a once weekly two dose otic gel containing florfenicol, terbinafine and betamethasone administered for the treatment of canine otitis externa. BMC veterinary research, Oct-11, Volume: 14, Issue: 1	2018
A randomized placebo-controlled trial of the efficacy and safety of a terbinafine, florfenicol and betamethasone topical ear formulation in dogs for the treatment of bacterial and/or fungal otitis externa. BMC veterinary research, Aug-31, Volume: 14, Issue: 1	2018
Effects of florfenicol and oxytetracycline on the tropical cladoceran Ceriodaphnia silvestrii: A mixture toxicity approach to predict the potential risks of antimicrobials for zooplankton. Ecotoxicology and environmental safety, Oct-30, Volume: 162	2018
Toxicity of 13 different antibiotics towards freshwater green algae Pseudokirchneriella subcapitata and their modes of action. Chemosphere, Volume: 168	2017
Prediction of joint algal toxicity of nano-CeO2/nano-TiO2 and florfenicol: Independent action surpasses concentration addition. Chemosphere, Volume: 156	2016
Toxicity to the hematopoietic and lymphoid organs of piglets treated with a therapeutic dose of florfenicol. Veterinary immunology and immunopathology, Dec-15, Volume: 162, Issue: 3-4	2014
Simultaneous determination of florfenicol with its metabolite based on modified quick, easy, cheap, effective, rugged, and safe sample pretreatment and evaluation of their degradation behavior in agricultural soils. Journal of separation science, Volume: 38, Issue: 2	2015
Toxicity induced by three antibiotics commonly used in aquaculture on the marine microalga Tetraselmis suecica (Kylin) Butch. Marine environmental research, Volume: 101	2014
Chronic toxicity of the veterinary antibiotic florfenicol to Daphnia magna assessed at two temperatures. Environmental toxicology and pharmacology, Volume: 36, Issue: 3	2013
Aquatic toxicity of four veterinary drugs commonly applied in fish farming and animal husbandry. Chemosphere, Volume: 92, Issue: 9	2013
Safety of florfenicol administered in feed to tilapia (Oreochromis sp.). Toxicologic pathology, Volume: 41, Issue: 4	2013
Safety of florfenicol in the adult lobster (Homarus americanus). Journal of zoo and wildlife medicine : official publication of the American Association of Zoo Veterinarians, Volume: 42, Issue: 1	2011
Efficacy and safety of a new 450 mg/ml florfenicol formulation administered intramuscularly in the treatment of bacterial bovine respiratory disease. The Veterinary record, Nov-12, Volume: 169, Issue: 20	2011
Acute toxicity of oxytetracycline and florfenicol to the microalgae Tetraselmis chuii and to the crustacean Artemia parthenogenetica. Ecotoxicology and environmental safety, Volume: 67, Issue: 3	2007
The effect of testosterone propionate supplement on testicular toxicity with thiamphenicol in male Sprague-Dawley rats. The Journal of toxicological sciences, Volume: 29, Issue: 3	2004
Haemotoxicity of thiamphenicol in the BALB/c mouse and Wistar Hanover rat. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, Volume: 40, Issue: 12	2002
Recent clinical evidence of the efficacy and safety of thiamphenicol glycinate acetylcysteinate and thiamphenicol glycinate. Journal of chemotherapy (Florence, Italy), Volume: 14, Issue: 3	2002
Thirteen-week subchronic toxicity study of thiamphenicol in F344 rats. Toxicology letters, Apr-28, Volume: 91, Issue: 2	1997
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Pharmacokinetics, tissue residue depletion, and withdrawal interval estimations of florfenicol in goats following repeated subcutaneous administrations. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, Volume: 181	2023
Effects of starvation on the pharmacokinetics and optimal dosages of florfenicol and associated serum biochemistry in Asian seabass (Lates calcarifer). Journal of veterinary pharmacology and therapeutics, Volume: 46, Issue: 2	2023
Comparative pharmacokinetics of florfenicol in heifers after intramuscular and subcutaneous administration. Journal of veterinary pharmacology and therapeutics, Volume: 46, Issue: 3	2023
Allicin affects the pharmacokinetics of sulfadiazine and florfenicol by downregulating the expression of jejunum P-gp and BCRP in broilers. Poultry science, Volume: 101, Issue: 7	2022
An Interactive Generic Physiologically Based Pharmacokinetic (igPBPK) Modeling Platform to Predict Drug Withdrawal Intervals in Cattle and Swine: A Case Study on Flunixin, Florfenicol, and Penicillin G. Toxicological sciences : an official journal of the Society of Toxicology, 07-28, Volume: 188, Issue: 2	2022
The influence of the site of drug administration on florfenicol pharmacokinetics in turkeys. Poultry science, Volume: 101, Issue: 1	2022
Effects of berberine on the pharmacokinetics of florfenicol and levels of cytochrome P450 3A37, multidrug resistance 1, and chicken xenobiotic-sensing orphan nuclear receptor mRNA expression in broilers. Veterinary medicine and science, Volume: 8, Issue: 2	2022
Borneol influences the pharmacokinetics of florfenicol through regulation of cytochrome P450 1A2 (CYP1A2), CYP2C11, CYP3A1, and multidrug resistance 1 (MDR1) mRNA expression levels in rats. The Journal of veterinary medical science, Aug-26, Volume: 83, Issue: 8	2021
Differential effects of aquatic anaesthetics on the pharmacokinetics of antibiotics: Examples using florfenicol in Nile tilapia (Oreochromis niloticus). Journal of fish diseases, Volume: 44, Issue: 10	2021
Bayesian population physiologically-based pharmacokinetic model for robustness evaluation of withdrawal time in tilapia aquaculture administrated to florfenicol. Ecotoxicology and environmental safety, Mar-01, Volume: 210	2021
Pharmacokinetics of florfenicol and thiamphenicol after single oral and intravenous, as well as multiple oral administrations to geese. British poultry science, Volume: 62, Issue: 1	2021
Bath immersion pharmacokinetics of florfenicol in Nile tilapia (Oreochromis niloticus). Journal of veterinary pharmacology and therapeutics, Volume: 43, Issue: 6	2020
Development and application of a population physiologically based pharmacokinetic model for florfenicol and its metabolite florfenicol amine in cattle. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, Volume: 126	2019
Comparison of florfenicol pharmacokinetics in Exopalaemon carinicauda at different temperatures and administration routes. Journal of veterinary pharmacology and therapeutics, Volume: 42, Issue: 2	2019
Relevance of Breast Cancer Resistance Protein to Pharmacokinetics of Florfenicol in Chickens: A Perspective from In Vivo and In Vitro Studies. International journal of molecular sciences, Oct-15, Volume: 19, Issue: 10	2018
Pharmacokinetics of florfenicol and thiamphenicol in ducks. Journal of veterinary pharmacology and therapeutics, Volume: 42, Issue: 1	2019
Preparation, characterization, and pharmacokinetics in swine of a florfenicol enteric formulation prepared using hot-melt extrusion technology. Journal of veterinary pharmacology and therapeutics, Volume: 41, Issue: 4	2018
Pharmacokinetics of florfenicol in turkey plasma, lung tissue, and pulmonary epithelial lining fluid after single oral bolus or continuous administration in the drinking water. Poultry science, Apr-01, Volume: 97, Issue: 4	2018
Comparative pharmacokinetics of two florfenicol formulations following intramuscular and subcutaneous administration to sheep. American journal of veterinary research, Volume: 79, Issue: 1	2018
Tilmicosin- and florfenicol-loaded hydrogenated castor oil-solid lipid nanoparticles to pigs: Combined antibacterial activities and pharmacokinetics. Journal of veterinary pharmacology and therapeutics, Volume: 41, Issue: 2	2018
Impact of growth matrix on pharmacodynamics of antimicrobial drugs for pig pneumonia pathogens. BMC veterinary research, Jun-23, Volume: 13, Issue: 1	2017
Diffusion-limited PBPK model for predicting pulmonary pharmacokinetics of florfenicol in pig. Journal of veterinary pharmacology and therapeutics, Volume: 40, Issue: 6	2017
Pharmacokinetic/pharmacodynamic integration and modelling of florfenicol for the pig pneumonia pathogens Actinobacillus pleuropneumoniae and Pasteurella multocida. PloS one, Volume: 12, Issue: 5	2017
Preparation, characterization, and pharmacokinetics of tilmicosin- and florfenicol-loaded hydrogenated castor oil-solid lipid nanoparticles. Journal of veterinary pharmacology and therapeutics, Volume: 40, Issue: 3	2017
Preparation, characterization and pharmacokinetics of doxycycline hydrochloride and florfenicol polyvinylpyrroliddone microparticle entrapped with hydroxypropyl-β-cyclodextrin inclusion complexes suspension. Colloids and surfaces. B, Biointerfaces, May-01, Volume: 141	2016
Pharmacokinetics of florfenicol and behaviour of its metabolite florfenicol amine in orange-spotted grouper (Epinephelus coioides) after oral administration. Journal of fish diseases, Volume: 39, Issue: 7	2016
The acute phase response induced by Escherichia coli lipopolysaccharide modifies the pharmacokinetics and metabolism of florfenicol in rabbits. Journal of veterinary pharmacology and therapeutics, Volume: 39, Issue: 2	2016
Synovial fluid pharmacokinetics of tulathromycin, gamithromycin and florfenicol after a single subcutaneous dose in cattle. BMC veterinary research, Feb-07, Volume: 11	2015
Study of pharmacokinetics of an in situ forming gel system for controlled delivery of florfenicol in pigs. Journal of veterinary pharmacology and therapeutics, Volume: 38, Issue: 6	2015
Influence of three coccidiostats on the pharmacokinetics of florfenicol in rabbits. Experimental animals, Volume: 64, Issue: 1	2015
Pharmacokinetics of florfenicol after intravenous administration in Escherichia coli lipopolysaccharide-induced endotoxaemic sheep. Journal of veterinary pharmacology and therapeutics, Volume: 38, Issue: 2	2015
UPLC-MS/MS determination of thiamphenicol in human plasma and its application to a pharmacokinetic study. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, Sep-15, Volume: 967	2014
Pharmacokinetics of thiamphenicol glycinate and its active metabolite by single and multiple intravenous infusions in healthy Chinese volunteers. Xenobiotica; the fate of foreign compounds in biological systems, Volume: 44, Issue: 9	2014
Pharmacokinetic-pharmacodynamic integration and modelling of florfenicol in calves. Journal of veterinary pharmacology and therapeutics, Volume: 37, Issue: 3	2014
Clinical efficacy of florfenicol administered in the drinking water against Ornithobacterium rhinotracheale in turkeys housed in different environmental conditions: a pharmacokinetic/pharmacodynamic approach. Avian pathology : journal of the W.V.P.A, Volume: 42, Issue: 5	2013
Pharmacokinetics of florfenicol after intravenous and intramuscular dosing in llamas. Research in veterinary science, Volume: 95, Issue: 2	2013
Pharmacokinetics and tissue distribution of thiamphenicol and florfenicol in Pacific white shrimp Litopenaeus vannamei in freshwater following oral administration. Journal of aquatic animal health, Volume: 25, Issue: 2	2013
Effect of three polyether ionophores on pharmacokinetics of florfenicol in male broilers. Journal of veterinary pharmacology and therapeutics, Volume: 36, Issue: 5	2013
A physiologically based pharmacokinetics model for florfenicol in crucian carp and oral-to-intramuscular extrapolation. Journal of veterinary pharmacology and therapeutics, Volume: 36, Issue: 2	2013
Pharmacokinetics of florfenicol and its metabolite, florfenicol amine, in rice field eel (Monopterus albus) after a single-dose intramuscular or oral administration. Journal of veterinary pharmacology and therapeutics, Volume: 36, Issue: 3	2013
Single intravenous and oral dose pharmacokinetics of florfenicol in the channel catfish (Ictalurus punctatus). Journal of veterinary pharmacology and therapeutics, Volume: 35, Issue: 5	2012
Pharmacokinetics of florfenicol in crucian carp (Carassius auratus cuvieri) after a single intramuscular or oral administration. Journal of veterinary pharmacology and therapeutics, Volume: 34, Issue: 5	2011
Pharmacokinetics of the prodrug thiamphenicol glycinate and its active parent compound thiamphenicol in beagle dogs following intravenous administration. Xenobiotica; the fate of foreign compounds in biological systems, Volume: 41, Issue: 3	2011
Pharmacokinetics of a florfenicol-tylosin combination after intravenous and intramuscular administration to beagle dogs. The Journal of veterinary medical science, Volume: 73, Issue: 4	2011
Pharmacokinetics and tissue depletion of florfenicol in Leghorn and Taiwan Native chickens. Journal of veterinary pharmacology and therapeutics, Volume: 33, Issue: 5	2010
Pharmacokinetics of florfenicol in the plasma of Japanese quail. New Zealand veterinary journal, Volume: 57, Issue: 6	2009
Comparative pharmacokinetics of florfenicol in the chicken, pigeon and quail. British poultry science, Volume: 50, Issue: 1	2009
Pharmacokinetics of florfenicol after intravenous and intramuscular administration in New Zealand White rabbits. Research in veterinary science, Volume: 87, Issue: 1	2009
Determination of bergenin in human plasma after oral administration by HPLC-MS/MS method and its pharmacokinetic study. Biomedical chromatography : BMC, Volume: 23, Issue: 2	2009
Pharmacokinetics of florfenicol in serum and synovial fluid after regional intravenous perfusion in the distal portion of the hind limb of adult cows. American journal of veterinary research, Volume: 69, Issue: 8	2008
Comparative pharmacokinetics of tylosin or florfenicol after a single intramuscular administration at two different doses of tylosin-florfenicol combination in pigs. The Journal of veterinary medical science, Volume: 70, Issue: 1	2008
Induction of the carrier state in pigeons infected with Salmonella enterica subspecies enterica serovar typhimurium PT99 by treatment with florfenicol: a matter of pharmacokinetics. Antimicrobial agents and chemotherapy, Volume: 52, Issue: 3	2008
Pharmacokinetics of florfenicol and its metabolite, florfenicol amine, in dogs. Research in veterinary science, Volume: 84, Issue: 1	2008
Pharmacokinetics of florfenicol, thiamphenicol, and chloramphenicol in turkeys. Journal of veterinary pharmacology and therapeutics, Volume: 30, Issue: 2	2007
Pharmacokinetics of florfenicol after a single intramuscular dose in white-spotted bamboo sharks (Chiloscyllium plagiosum). Journal of zoo and wildlife medicine : official publication of the American Association of Zoo Veterinarians, Volume: 37, Issue: 2	2006
Pharmacokinetics of florfenicol and its major metabolite, florfenicol amine, in rabbits. Journal of veterinary pharmacology and therapeutics, Volume: 30, Issue: 1	2007
Capillary electrophoretic determination of thiamphenicol in turkeys serum and its pharmacokinetic application. Journal of pharmaceutical and biomedical analysis, Jan-04, Volume: 43, Issue: 1	2007
Simultaneous analysis of thiamphenicol and its prodrug thiamphenicol glycinate in human plasma and urine by high performance liquid chromatography: application to pharmacokinetic study. Journal of pharmaceutical and biomedical analysis, Jun-07, Volume: 41, Issue: 3	2006
Pharmacokinetics of florfenicol and its metabolite, florfenicol amine, in the Korean catfish (Silurus asotus). Journal of veterinary pharmacology and therapeutics, Volume: 29, Issue: 1	2006
Pharmacokinetics and bioavailability of florfenicol following intravenous, intramuscular and oral administrations in rabbits. Veterinary research communications, Volume: 28, Issue: 6	2004
Pharmacokinetics of florfenicol in North American elk (Cervus elaphus). Journal of veterinary pharmacology and therapeutics, Volume: 27, Issue: 5	2004
Intravenous and subcutaneous pharmacokinetics of florfenicol in sheep. Journal of veterinary pharmacology and therapeutics, Volume: 27, Issue: 4	2004
Bioavailability and pharmacokinetics of florfenicol in healthy sheep. Journal of veterinary pharmacology and therapeutics, Volume: 27, Issue: 3	2004
Bioavailability and pharmacokinetics of florfenicol in broiler chickens. Journal of veterinary pharmacology and therapeutics, Volume: 26, Issue: 5	2003
Pharmacokinetics of florfenicol in cod Gadus morhua and in vitro antibacterial activity against Vibrio anguillarum. Diseases of aquatic organisms, Sep-24, Volume: 56, Issue: 2	2003
Comparative plasma pharmacokinetics and tolerance of florfenicol following intramuscular and intravenous administration to camels, sheep and goats. Veterinary research communications, Volume: 27, Issue: 6	2003
Pharmacokinetics of florfenicol in loggerhead sea turtles (Caretta caretta) after single intravenous and intramuscular injections. Journal of zoo and wildlife medicine : official publication of the American Association of Zoo Veterinarians, Volume: 34, Issue: 1	2003
Pharmacokinetics of florfenicol in healthy pigs and in pigs experimentally infected with Actinobacillus pleuropneumoniae. Antimicrobial agents and chemotherapy, Volume: 47, Issue: 2	2003
Pharmacokinetics of florfenicol in healthy and Escherichia coli-infected broiler chickens. Research in veterinary science, Volume: 73, Issue: 2	2002
Pharmacokinetic properties of florfenicol in Egyptian goats. DTW. Deutsche tierarztliche Wochenschrift, Volume: 107, Issue: 4	2000
Pharmacokinetics of florfenicol after treatment of pigs with single oral or intramuscular doses or with medicated feed for three days. The Veterinary record, Oct-02, Volume: 145, Issue: 14	1999
Pharmacokinetics of thiamphenicol in dogs. American journal of veterinary research, Volume: 59, Issue: 11	1998
Pharmacokinetics of florfenicol in normal and Pasteurella-infected Muscovy ducks. British poultry science, Volume: 39, Issue: 4	1998
Tissue concentrations and pharmacokinetics of florfenicol in broiler chickens. British poultry science, Volume: 38, Issue: 4	1997
Pharmacokinetics of florfenicol in cerebrospinal fluid and plasma of calves. Antimicrobial agents and chemotherapy, Volume: 41, Issue: 9	1997
Tissue concentrations and pharmacokinetics of florfenicol in broiler chickens. DTW. Deutsche tierarztliche Wochenschrift, Volume: 104, Issue: 5	1997
Florfenicol pharmacokinetics in lactating cows after intravenous, intramuscular and intramammary administration. Journal of veterinary pharmacology and therapeutics, Volume: 18, Issue: 6	1995
Thiamphenicol pharmacokinetics in sheep. Journal of veterinary pharmacology and therapeutics, Volume: 17, Issue: 1	1994
The pharmacokinetics of thiamphenicol in lactating cows. Veterinary research communications, Volume: 17, Issue: 4	1993
Pharmacokinetics of florfenicol following intravenous and intramuscular doses to cattle. Journal of veterinary pharmacology and therapeutics, Volume: 17, Issue: 4	1994
Pharmacokinetics and distribution of thiamphenicol in sheep given repeated intramuscular doses. Veterinary research, Volume: 25, Issue: 5	1994
Thiamphenicol pharmacokinetics in beef and dairy cattle. Journal of veterinary pharmacology and therapeutics, Volume: 17, Issue: 5	1994
Pharmacokinetics of florfenicol in veal calves. Journal of veterinary pharmacology and therapeutics, Volume: 9, Issue: 4	1986
Florfenicol in non-lactating dairy cows: pharmacokinetics, binding to plasma proteins, and effects on phagocytosis by blood neutrophils. Journal of veterinary pharmacology and therapeutics, Volume: 10, Issue: 3	1987
Tissue concentrations and pharmacokinetics of florfenicol in male veal calves given repeated doses. American journal of veterinary research, Volume: 48, Issue: 12	1987
Ocular pharmacokinetics of thiamphenicol in rabbits. Arzneimittel-Forschung, Volume: 42, Issue: 10	1992
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Comparative pharmacokinetics of florfenicol in heifers after intramuscular and subcutaneous administration. Journal of veterinary pharmacology and therapeutics, Volume: 46, Issue: 3	2023
The influence of the site of drug administration on florfenicol pharmacokinetics in turkeys. Poultry science, Volume: 101, Issue: 1	2022
Pharmacokinetics of florfenicol and thiamphenicol after single oral and intravenous, as well as multiple oral administrations to geese. British poultry science, Volume: 62, Issue: 1	2021
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular pharmacology, Volume: 96, Issue: 5	2019
Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens. The Journal of biological chemistry, 11-15, Volume: 294, Issue: 46	2019
Comparison of florfenicol pharmacokinetics in Exopalaemon carinicauda at different temperatures and administration routes. Journal of veterinary pharmacology and therapeutics, Volume: 42, Issue: 2	2019
Pharmacokinetics of florfenicol and thiamphenicol in ducks. Journal of veterinary pharmacology and therapeutics, Volume: 42, Issue: 1	2019
Diffusion-limited PBPK model for predicting pulmonary pharmacokinetics of florfenicol in pig. Journal of veterinary pharmacology and therapeutics, Volume: 40, Issue: 6	2017
Preparation, characterization and pharmacokinetics of doxycycline hydrochloride and florfenicol polyvinylpyrroliddone microparticle entrapped with hydroxypropyl-β-cyclodextrin inclusion complexes suspension. Colloids and surfaces. B, Biointerfaces, May-01, Volume: 141	2016
Nanoemulsion formulation of florfenicol improves bioavailability in pigs. Journal of veterinary pharmacology and therapeutics, Volume: 39, Issue: 1	2016
Pharmacokinetics of florfenicol after intravenous and intramuscular dosing in llamas. Research in veterinary science, Volume: 95, Issue: 2	2013
Single intravenous and oral dose pharmacokinetics of florfenicol in the channel catfish (Ictalurus punctatus). Journal of veterinary pharmacology and therapeutics, Volume: 35, Issue: 5	2012
Pharmacokinetics of a florfenicol-tylosin combination after intravenous and intramuscular administration to beagle dogs. The Journal of veterinary medical science, Volume: 73, Issue: 4	2011
Effect of three anthelmentics on disposition kinetics of florfenicol in goats. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, Volume: 48, Issue: 12	2010
Pharmacokinetics of florfenicol in the plasma of Japanese quail. New Zealand veterinary journal, Volume: 57, Issue: 6	2009
Comparative pharmacokinetics of florfenicol in the chicken, pigeon and quail. British poultry science, Volume: 50, Issue: 1	2009
Pharmacokinetics of florfenicol after intravenous and intramuscular administration in New Zealand White rabbits. Research in veterinary science, Volume: 87, Issue: 1	2009
Plasma and tissue depletion of florfenicol and florfenicol-amine in chickens. Journal of agricultural and food chemistry, Nov-26, Volume: 56, Issue: 22	2008
Induction of the carrier state in pigeons infected with Salmonella enterica subspecies enterica serovar typhimurium PT99 by treatment with florfenicol: a matter of pharmacokinetics. Antimicrobial agents and chemotherapy, Volume: 52, Issue: 3	2008
Pharmacokinetics of florfenicol and its metabolite, florfenicol amine, in dogs. Research in veterinary science, Volume: 84, Issue: 1	2008
Pharmacokinetics of florfenicol, thiamphenicol, and chloramphenicol in turkeys. Journal of veterinary pharmacology and therapeutics, Volume: 30, Issue: 2	2007
Pharmacokinetics of florfenicol and its major metabolite, florfenicol amine, in rabbits. Journal of veterinary pharmacology and therapeutics, Volume: 30, Issue: 1	2007
Pharmacokinetics of florfenicol and its metabolite, florfenicol amine, in the Korean catfish (Silurus asotus). Journal of veterinary pharmacology and therapeutics, Volume: 29, Issue: 1	2006
Pharmacokinetics and bioavailability of florfenicol following intravenous, intramuscular and oral administrations in rabbits. Veterinary research communications, Volume: 28, Issue: 6	2004
Intravenous and subcutaneous pharmacokinetics of florfenicol in sheep. Journal of veterinary pharmacology and therapeutics, Volume: 27, Issue: 4	2004
Bioavailability and pharmacokinetics of florfenicol in healthy sheep. Journal of veterinary pharmacology and therapeutics, Volume: 27, Issue: 3	2004
Bioavailability and pharmacokinetics of florfenicol in broiler chickens. Journal of veterinary pharmacology and therapeutics, Volume: 26, Issue: 5	2003
Pharmacokinetics of florfenicol in cod Gadus morhua and in vitro antibacterial activity against Vibrio anguillarum. Diseases of aquatic organisms, Sep-24, Volume: 56, Issue: 2	2003
Pharmacokinetics of florfenicol in healthy pigs and in pigs experimentally infected with Actinobacillus pleuropneumoniae. Antimicrobial agents and chemotherapy, Volume: 47, Issue: 2	2003
A comparative kinetic study of thiamphenicol in pre-ruminant lambs and calves. Research in veterinary science, Volume: 73, Issue: 3	2002
Pharmacokinetics of florfenicol in healthy and Escherichia coli-infected broiler chickens. Research in veterinary science, Volume: 73, Issue: 2	2002
Pharmacodisposition of thiamphenicol in rabbits. DTW. Deutsche tierarztliche Wochenschrift, Volume: 108, Issue: 9	2001
Disposition kinetics of florfenicol in goats by using two analytical methods. Journal of veterinary medicine. A, Physiology, pathology, clinical medicine, Volume: 48, Issue: 3	2001
Pharmacokinetic properties of florfenicol in Egyptian goats. DTW. Deutsche tierarztliche Wochenschrift, Volume: 107, Issue: 4	2000
Pharmacokinetics of florfenicol after treatment of pigs with single oral or intramuscular doses or with medicated feed for three days. The Veterinary record, Oct-02, Volume: 145, Issue: 14	1999
Thiamphenicol disposition in pigs. Research in veterinary science, Volume: 66, Issue: 3	1999
Pharmacokinetics of thiamphenicol in dogs. American journal of veterinary research, Volume: 59, Issue: 11	1998
Pharmacokinetics of florfenicol in normal and Pasteurella-infected Muscovy ducks. British poultry science, Volume: 39, Issue: 4	1998
Tissue concentrations and pharmacokinetics of florfenicol in broiler chickens. British poultry science, Volume: 38, Issue: 4	1997
Tissue concentrations and pharmacokinetics of florfenicol in broiler chickens. DTW. Deutsche tierarztliche Wochenschrift, Volume: 104, Issue: 5	1997
Florfenicol pharmacokinetics in lactating cows after intravenous, intramuscular and intramammary administration. Journal of veterinary pharmacology and therapeutics, Volume: 18, Issue: 6	1995
Thiamphenicol pharmacokinetics in sheep. Journal of veterinary pharmacology and therapeutics, Volume: 17, Issue: 1	1994
The pharmacokinetics of thiamphenicol in lactating cows. Veterinary research communications, Volume: 17, Issue: 4	1993
Thiamphenicol pharmacokinetics in beef and dairy cattle. Journal of veterinary pharmacology and therapeutics, Volume: 17, Issue: 5	1994
Tissue concentrations and pharmacokinetics of florfenicol in male veal calves given repeated doses. American journal of veterinary research, Volume: 48, Issue: 12	1987
Ocular pharmacokinetics of thiamphenicol in rabbits. Arzneimittel-Forschung, Volume: 42, Issue: 10	1992
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Florfenicol sustained-release granules: an in vitro-in vivo correlation study in pigs. BMC veterinary research, Jun-30, Volume: 19, Issue: 1	2023
Effects of starvation on the pharmacokinetics and optimal dosages of florfenicol and associated serum biochemistry in Asian seabass (Lates calcarifer). Journal of veterinary pharmacology and therapeutics, Volume: 46, Issue: 2	2023
The effects of extended feeding of florfenicol coated medicated diets on the safety, serum biomarkers and blood cells morphology of Nile tilapia Oreochromis niloticus (L.). Environmental science and pollution research international, Volume: 29, Issue: 26	2022
Differential effects of aquatic anaesthetics on the pharmacokinetics of antibiotics: Examples using florfenicol in Nile tilapia (Oreochromis niloticus). Journal of fish diseases, Volume: 44, Issue: 10	2021
Bayesian population physiologically-based pharmacokinetic model for robustness evaluation of withdrawal time in tilapia aquaculture administrated to florfenicol. Ecotoxicology and environmental safety, Mar-01, Volume: 210	2021
Pharmacokinetics of florfenicol and thiamphenicol after single oral and intravenous, as well as multiple oral administrations to geese. British poultry science, Volume: 62, Issue: 1	2021
Clinical comparison of five anti-chlamydial antibiotics in koalas (Phascolarctos cinereus). PloS one, Volume: 15, Issue: 7	2020
Fraudulent antibiotic products on the market for aquaculture use. Preventive veterinary medicine, Volume: 181	2020
Mutant prevention and minimum inhibitory concentration drug values for enrofloxacin, ceftiofur, florfenicol, tilmicosin and tulathromycin tested against swine pathogens Actinobacillus pleuropneumoniae, Pasteurella multocida and Streptococcus suis. PloS one, Volume: 14, Issue: 1	2019
Pharmacokinetics of florfenicol in turkey plasma, lung tissue, and pulmonary epithelial lining fluid after single oral bolus or continuous administration in the drinking water. Poultry science, Apr-01, Volume: 97, Issue: 4	2018
LC-MS/MS based method development for the analysis of florfenicol and its application to estimate relative distribution in various tissues of broiler chicken. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, Sep-15, Volume: 1063	2017
Assessment of florfenicol as a possible treatment for chlamydiosis in koalas (Phascolarctos cinereus). Australian veterinary journal, Volume: 95, Issue: 9	2017
Impact of growth matrix on pharmacodynamics of antimicrobial drugs for pig pneumonia pathogens. BMC veterinary research, Jun-23, Volume: 13, Issue: 1	2017
Diffusion-limited PBPK model for predicting pulmonary pharmacokinetics of florfenicol in pig. Journal of veterinary pharmacology and therapeutics, Volume: 40, Issue: 6	2017
Pharmacokinetic/pharmacodynamic integration and modelling of florfenicol for the pig pneumonia pathogens Actinobacillus pleuropneumoniae and Pasteurella multocida. PloS one, Volume: 12, Issue: 5	2017
Effects of florfenicol on the antioxidant status, detoxification system and biomolecule damage in the swimming crab (Portunus trituberculatus). Ecotoxicology and environmental safety, Volume: 143	2017
Activity of florfenicol for Actinobacillus pleuropneumoniae and Pasteurella multocida using standardised versus non-standardised methodology. Veterinary journal (London, England : 1997), Volume: 218	2016
Treatment of florfenicol of synthetic trout fish farm wastewater through nanofiltration and photocatalyst oxidation. Environmental technology, Volume: 38, Issue: 16	2017
Synergism between two amphenicol of antibiotics, florfenicol and thiamphenicol, against Staphylococcus aureus. The Veterinary record, Mar-26, Volume: 178, Issue: 13	2016
Quality of Antimicrobial Products Used in Striped Catfish (Pangasianodon hypophthalmus) Aquaculture in Vietnam. PloS one, Volume: 10, Issue: 4	2015
Study of pharmacokinetics of an in situ forming gel system for controlled delivery of florfenicol in pigs. Journal of veterinary pharmacology and therapeutics, Volume: 38, Issue: 6	2015
Absorption and disposition of florfenicol after intravenous, intramuscular and subcutaneous dosing in alpacas. Research in veterinary science, Volume: 99	2015
In vitro assessment of chloramphenicol and florfenicol as second-line antimicrobial agents in dogs. Journal of veterinary pharmacology and therapeutics, Volume: 38, Issue: 5	2015
Florfenicol residues in rainbow trout after oral dosing in recirculating and flow-through culture systems. Journal of aquatic animal health, Volume: 26, Issue: 4	2014
Depletion of florfenicol and florfenicol amine residues in chicken eggs. British poultry science, Volume: 55, Issue: 4	2014
Pharmacokinetic-pharmacodynamic integration and modelling of florfenicol in calves. Journal of veterinary pharmacology and therapeutics, Volume: 37, Issue: 3	2014
Effects of florfenicol on the immune responses and the interferon-inducible genes in broiler chickens under the impact of E. coli infection. Veterinary research communications, Volume: 38, Issue: 1	2014
Pharmacokinetics of florfenicol after intravenous and intramuscular dosing in llamas. Research in veterinary science, Volume: 95, Issue: 2	2013
Pharmacodynamics of florfenicol for calf pneumonia pathogens. The Veterinary record, Mar-30, Volume: 172, Issue: 13	2013
Florfenicol depletion in edible tissue of rainbow trout, Oncorhynchus mykiss (Walbaum), and sea bream, Sparus aurata L. Journal of fish diseases, Volume: 36, Issue: 8	2013
Safety of florfenicol administered in feed to tilapia (Oreochromis sp.). Toxicologic pathology, Volume: 41, Issue: 4	2013
Impacts of florfenicol on marine diatom Skeletonema costatum through photosynthesis inhibition and oxidative damages. Plant physiology and biochemistry : PPB, Volume: 60	2012
Comparative minimum inhibitory and mutant prevention drug concentrations of enrofloxacin, ceftiofur, florfenicol, tilmicosin and tulathromycin against bovine clinical isolates of Mannheimia haemolytica. Veterinary microbiology, Nov-09, Volume: 160, Issue: 1-2	2012
Pharmacokinetics of florfenicol and its metabolite, florfenicol amine, in rice field eel (Monopterus albus) after a single-dose intramuscular or oral administration. Journal of veterinary pharmacology and therapeutics, Volume: 36, Issue: 3	2013
Single intravenous and oral dose pharmacokinetics of florfenicol in the channel catfish (Ictalurus punctatus). Journal of veterinary pharmacology and therapeutics, Volume: 35, Issue: 5	2012
Florfenicol pharmacokinetics in healthy adult alpacas after subcutaneous and intramuscular injection. Journal of veterinary pharmacology and therapeutics, Volume: 35, Issue: 4	2012
Determination of florfenicol dose rate in feed for control of mortality in Nile tilapia infected with Streptococcus iniae. Journal of aquatic animal health, Volume: 22, Issue: 3	2010
Efficacy of florfenicol for control of mortality caused by Flavobacterium columnare infection in channel catfish. Journal of aquatic animal health, Volume: 22, Issue: 2	2010
Pharmacokinetics of florfenicol in the plasma of Japanese quail. New Zealand veterinary journal, Volume: 57, Issue: 6	2009
Florfenicol residues in Nile tilapia after 10-d oral dosing in feed: effect of fish size. Journal of aquatic animal health, Volume: 21, Issue: 1	2009
Florfenicol residues in three species of fish after 10-day oral dosing in feed. Journal of aquatic animal health, Volume: 21, Issue: 1	2009
Laboratory efficacy of florfenicol against Streptococcus iniae infection in sunshine bass. Journal of aquatic animal health, Volume: 19, Issue: 1	2007
Treating experimentally induced vibriosis (Listonella anguillarum) in cod, Gadus morhua L., with florfenicol. Journal of fish diseases, Volume: 29, Issue: 12	2006
Comparative efficacy of tulathromycin, tilmicosin, and florfenicol in the treatment of bovine respiratory disease in stocker cattle. Veterinary therapeutics : research in applied veterinary medicine,Summer, Volume: 6, Issue: 2	2005
Pharmacokinetics and bioavailability of florfenicol following intravenous, intramuscular and oral administrations in rabbits. Veterinary research communications, Volume: 28, Issue: 6	2004
Intravenous and subcutaneous pharmacokinetics of florfenicol in sheep. Journal of veterinary pharmacology and therapeutics, Volume: 27, Issue: 4	2004
Use of florfenicol in non-human primates. Journal of medical primatology, Volume: 33, Issue: 3	2004
Pharmacokinetics of florfenicol in healthy pigs and in pigs experimentally infected with Actinobacillus pleuropneumoniae. Antimicrobial agents and chemotherapy, Volume: 47, Issue: 2	2003
Haemotoxicity of thiamphenicol in the BALB/c mouse and Wistar Hanover rat. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, Volume: 40, Issue: 12	2002
Recent clinical evidence of the efficacy and safety of thiamphenicol glycinate acetylcysteinate and thiamphenicol glycinate. Journal of chemotherapy (Florence, Italy), Volume: 14, Issue: 3	2002
An optimized system for studies of EPO-dependent murine pro-erythroblast development. Experimental hematology, Volume: 29, Issue: 11	2001
Pharmacodisposition of thiamphenicol in rabbits. DTW. Deutsche tierarztliche Wochenschrift, Volume: 108, Issue: 9	2001
An assessment of chloramphenicol and thiamphenicol in the induction of aplastic anaemia in the BALB/c mouse. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, Volume: 38, Issue: 10	2000
Pharmacokinetics of thiamphenicol in dogs. American journal of veterinary research, Volume: 59, Issue: 11	1998
Placental transfer of thiamphenicol in the rat. Archives of toxicology, Volume: 48, Issue: 1	1981
Penetration into human urogenital tissues, muscle tissues, rib and cerebrospinal fluid of thiamphenicol. Arzneimittel-Forschung, Volume: 31, Issue: 7	1981
[Enzymatic release of sedimentary bacteria in the presence of antibiotics]. Comptes rendus des seances de l'Academie des sciences. Serie III, Sciences de la vie, Dec-06, Volume: 295, Issue: 12	1982
Pharmacokinetics of florfenicol in veal calves. Journal of veterinary pharmacology and therapeutics, Volume: 9, Issue: 4	1986
Placental transfer of thiamphenicol. Zeitschrift fur Geburtshilfe und Perinatologie, Volume: 180, Issue: 2	1976
Concentration of thiamphenicol in the human prostate and testis. Chemotherapy, Volume: 25, Issue: 5	1979
Placental transfer of thiamphenicol in term pregnancy. European journal of obstetrics, gynecology, and reproductive biology, Volume: 7, Issue: 6	1977
Embryonic development and mitochondrial function. 2. Thiamphenicol induced embryotoxicity. Naunyn-Schmiedeberg's archives of pharmacology, Volume: 296, Issue: 3	1977
Thiamphenicol and lupus nephritis. II. The effects of giving the drug from weaning to NZBxOUW F1 hybrid female mice. British journal of experimental pathology, Volume: 60, Issue: 5	1979
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
[Treatment of acute respiratory tract diseases in cattle with Bisolvon in combination with either enrofloxacin, cefquinome, ceftiofur or florfenicol]. Tierarztliche Praxis. Ausgabe G, Grosstiere/Nutztiere, Volume: 26, Issue: 3	1998
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

thiamphenicol

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Synonyms (161)

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thiamphenicol

Cross-References

Synonyms (161)

Research Excerpts

Overview

Effects

Treatment

Roles (2)

Drug Classes (2)

Protein Targets (14)

Potency Measurements

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Research

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